N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide

C28H26ClN3O6S2 — CID 4846593

IUPACN-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)ccc1Cl
InChIInChI=1S/C28H26ClN3O6S2/c1-18-7-6-8-22(15-18)31-39(34,35)26-16-20(12-11-19(26)2)28(33)30-21-13-14-23(29)27(17-21)40(36,37)32-24-9-4-5-10-25(24)38-3/h4-17,31-32H,1-3H3,(H,30,33)
InChIKeyLQRDETRTUHCSQW-UHFFFAOYSA-N
MW600.12 g/mol
LogP5.82
Rot. Bonds9

About N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide

N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 4846593) has the molecular formula C28H26ClN3O6S2 and a molecular weight of 600.12 g/mol. Its IUPAC name is N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID4846593
Molecular FormulaC28H26ClN3O6S2
Molecular Weight600.12 g/mol
Exact Mass599.10
IUPAC NameN-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)ccc1Cl
InChIInChI=1S/C28H26ClN3O6S2/c1-18-7-6-8-22(15-18)31-39(34,35)26-16-20(12-11-19(26)2)28(33)30-21-13-14-23(29)27(17-21)40(36,37)32-24-9-4-5-10-25(24)38-3/h4-17,31-32H,1-3H3,(H,30,33)
InChIKeyLQRDETRTUHCSQW-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

Analyze N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide with MolForge

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Related Compounds

3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
CID 1081903
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide
CID 71904027
4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4046422
4-chloro-N-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538705
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3484763
3-chloro-4,5-dimethoxy-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 26877954
4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46525468
4-chloro-N-(2-chlorophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388395
4-methyl-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3443148
4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26589777
N-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126414226
4-chloro-N-(3,5-dimethylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388373

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide (CID 4846593) is N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is LQRDETRTUHCSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3O6S2/c1-18-7-6-8-22(15-18)31-39(34,35)26-16-20(12-11-19(26)2)28(33)30-21-13-14-23(29)27(17-21)40(36,37)32-24-9-4-5-10-25(24)38-3/h4-17,31-32H,1-3H3,(H,30,33).
What are the key properties of N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide?
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]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 N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 4846593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).