4-[[4-chloro-1-(3-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide

Formula:C21H16N5O4ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[[4-chloro-1-(3-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide is a drug-like molecule.

MolName	4-[[4-chloro-1-(3-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide
MolecularFormula	C21H16N5O4ClS
Smiles	Cc1cccc(N(C(C(Nc(cc2)ccc2S(Nc2ncccn2)(=O)=O)=C2Cl)=O)C2=O)c1
InChI	InChI=1S/C21H16ClN5O4S/c1-13-4-2-5-15(12-13)27-19(28)17(22)18(20(27)29)25-14-6-8-16(9-7-14)32(30,31)26-21-23-10-3-11-24-21/h2-12,25H,1H3,(H,23,24,26)
InChIK	WRXWGDNYHHBGRD-UHFFFAOYSA-N
TotalMolweight	469.908
Molweight	469.908
MonoisotopicMass	469.061152
CLogP	1.774
CLogS	-5.139
H Acceptors	9
H Donors	2
TotalSurfaceArea	324.7
Relative PSA	0.31743
PolarSurfaceArea	129.74
Druglikeness	4.6339
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	5
Amides	2
Aromatic Nitrogens	2
StereoCon

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