2-chloro-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide

C28H26ClN3O6S2 — CID 99941336

IUPAC2-chloro-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1
InChIInChI=1S/C28H26ClN3O6S2/c1-18-4-10-22(11-5-18)39(34,35)31-21-9-14-24(25(29)17-21)28(33)30-20-7-12-23(13-8-20)40(36,37)32-26-16-19(2)6-15-27(26)38-3/h4-17,31-32H,1-3H3,(H,30,33)
InChIKeySIXCOQPPFYHCHP-UHFFFAOYSA-N
MW600.12 g/mol
LogP5.82
Rot. Bonds9

About 2-chloro-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide

2-chloro-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 99941336) has the molecular formula C28H26ClN3O6S2 and a molecular weight of 600.12 g/mol. Its IUPAC name is 2-chloro-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID99941336
Molecular FormulaC28H26ClN3O6S2
Molecular Weight600.12 g/mol
Exact Mass599.10
IUPAC Name2-chloro-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1
InChIInChI=1S/C28H26ClN3O6S2/c1-18-4-10-22(11-5-18)39(34,35)31-21-9-14-24(25(29)17-21)28(33)30-20-7-12-23(13-8-20)40(36,37)32-26-16-19(2)6-15-27(26)38-3/h4-17,31-32H,1-3H3,(H,30,33)
InChIKeySIXCOQPPFYHCHP-UHFFFAOYSA-N
XLogP5.82
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.12
LogP ≤ 55.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43875630
2-chloro-4-(methanesulfonamido)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 92684011
2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46772054
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
2-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide
CID 92673277
2-chloro-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43915574
2,3-dimethoxy-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide
CID 100530709
2-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46763944
4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43885917
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036
3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 18626096
1-(3-chlorophenyl)-3-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]urea
CID 17052588

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 2-chloro-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 99941336) is 2-chloro-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 2-chloro-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 2-chloro-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide is COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is SIXCOQPPFYHCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3O6S2/c1-18-4-10-22(11-5-18)39(34,35)31-21-9-14-24(25(29)17-21)28(33)30-20-7-12-23(13-8-20)40(36,37)32-26-16-19(2)6-15-27(26)38-3/h4-17,31-32H,1-3H3,(H,30,33).
What are the key properties of 2-chloro-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
2-chloro-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 600.12 g/mol, XLogP of 5.82, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 99941336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).