N-[4-[[[(E)-3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide

Formula:C27H21N4O6F3S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[4-[[[(E)-3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide is not a drug-like molecule.

MolName	N-[4-[[[(E)-3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
MolecularFormula	C27H21N4O6F3S3
Smiles	O=C(/C=C/c(cc1)ccc1S(Nc1cc(C(F)(F)F)ccc1)(=O)=O)NNC(c(cc1)ccc1NS(c1cccs1)(=O)=O)=O
InChI	InChI=1S/C27H21F3N4O6S3/c28-27(29,30)20-3-1-4-22(17-20)34-42(37,38)23-13-6-18(7-14-23)8-15-24(35)31-32-26(36)19-9-11-21(12-10-19)33-43(39,40)25-5-2-16-41-25/h1-17,33-34H,(H,31,35)(H,32,36)
InChIK	WGTOAQAGMHHQIN-UHFFFAOYSA-N
TotalMolweight	650.678
Molweight	650.678
MonoisotopicMass	650.05753
CLogP	3.3824
CLogS	-7.041
H Acceptors	10
H Donors	4
TotalSurfaceArea	442.94
Relative PSA	0.33738
PolarSurfaceArea	195.54
Druglikeness	-2.7264
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.60465
Fragments	1
Non HAtoms	43
NonCHAtoms	16
Electronegative Atoms	16
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	8
Amides	2
StereoCon

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1 - N-[4-[[[(E)-3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide | 2 - N-[4-[[[(E)-3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide

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