4-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Formula:C18H17N3O3ClF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is a drug-like molecule.

MolName	4-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
MolecularFormula	C18H17N3O3ClF3S
Smiles	O=C(Nc1c(C(F)(F)F)cccc1)N(CC1)CCN1S(c(cc1)ccc1Cl)(=O)=O
InChI	InChI=1S/C18H17ClF3N3O3S/c19-13-5-7-14(8-6-13)29(27,28)25-11-9-24(10-12-25)17(26)23-16-4-2-1-3-15(16)18(20,21)22/h1-8H,9-12H2,(H,23,26)
InChIK	WYUIOGMXWJDHQM-UHFFFAOYSA-N
TotalMolweight	447.864
Molweight	447.864
MonoisotopicMass	447.063123
CLogP	3.7605
CLogS	-3.806
H Acceptors	6
H Donors	1
TotalSurfaceArea	297.83
Relative PSA	0.20206
PolarSurfaceArea	78.1
Druglikeness	-2.1786
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	7
Amides	3
StereoCon

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