4-amino-N-[4-[(E)-2-(4-nitrophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide

Formula:C18H15N5O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-amino-N-[4-[(E)-2-(4-nitrophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide is a drug-like molecule.

MolName	4-amino-N-[4-[(E)-2-(4-nitrophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide
MolecularFormula	C18H15N5O4S
Smiles	Nc(cc1)ccc1S(Nc1nc(/C=C/c(cc2)ccc2[N+]([O-])=O)ccn1)(=O)=O
InChI	InChI=1S/C18H15N5O4S/c19-14-4-9-17(10-5-14)28(26,27)22-18-20-12-11-15(21-18)6-1-13-2-7-16(8-3-13)23(24)25/h1-12H,19H2,(H,20,21,22)
InChIK	OBPIXZWOIURTTG-UHFFFAOYSA-N
TotalMolweight	397.414
Molweight	397.414
MonoisotopicMass	397.084475
CLogP	1.4271
CLogS	-4.912
H Acceptors	9
H Donors	2
TotalSurfaceArea	289.03
Relative PSA	0.37252
PolarSurfaceArea	152.17
Druglikeness	-6.7944
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	5
Amides	1
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 4-amino-N-[4-[(E)-2-(4-nitrophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide | 2 - 4-amino-N-[4-[(E)-2-(4-nitrophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide

Request More Details | 4-amino-N-[4-[(E)-2-(4-nitrophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments