4-chloro-N-[(2R)-2-[[4-[(Z)-(3-nitrophenyl)methylideneamino]-1,2,4-triazol-3-yl]sulfanyl]-2-phenylethyl]benzenesulfonamide

Formula:C23H19N6O4ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-chloro-N-[(2R)-2-[[4-[(Z)-(3-nitrophenyl)methylideneamino]-1,2,4-triazol-3-yl]sulfanyl]-2-phenylethyl]benzenesulfonamide is not a drug-like molecule.

MolName	4-chloro-N-[(2R)-2-[[4-[(Z)-(3-nitrophenyl)methylideneamino]-1,2,4-triazol-3-yl]sulfanyl]-2-phenylethyl]benzenesulfonamide
MolecularFormula	C23H19N6O4ClS2
Smiles	[O-][N+](c1cccc(/C=N\n2c(S[C@@H](CNS(c(cc3)ccc3Cl)(=O)=O)c3ccccc3)nnc2)c1)=O
InChI	InChI=1S/C23H19ClN6O4S2/c24-19-9-11-21(12-10-19)36(33,34)27-15-22(18-6-2-1-3-7-18)35-23-28-25-16-29(23)26-14-17-5-4-8-20(13-17)30(31)32/h1-14,16,22,27H,15H2/t22-/m0/s1
InChIK	GMXGBOHEHIOPQE-QFIPXVFZSA-N
TotalMolweight	543.027
Molweight	543.027
MonoisotopicMass	542.059771
CLogP	4.202
CLogS	-7.966
H Acceptors	10
H Donors	1
TotalSurfaceArea	386.9
Relative PSA	0.33153
PolarSurfaceArea	168.74
Druglikeness	2.161
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	13
Electronegative Atoms	13
StereoCenters	1
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	5
Symmetricatoms	5
Amides	1
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon	this enantiomer

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1 - 4-chloro-N-[(2R)-2-[[4-[(Z)-(3-nitrophenyl)methylideneamino]-1,2,4-triazol-3-yl]sulfanyl]-2-phenylethyl]benzenesulfonamide | 2 - 4-chloro-N-[(2R)-2-[[4-[(Z)-(3-nitrophenyl)methylideneamino]-1,2,4-triazol-3-yl]sulfanyl]-2-phenylethyl]benzenesulfonamide

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