2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide

C28H26BrN3O7S2 — CID 43880649

IUPAC2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C28H26BrN3O7S2/c1-38-23-14-17-27(39-2)26(18-23)31-40(34,35)24-15-10-21(11-16-24)30-28(33)19-32(22-12-8-20(29)9-13-22)41(36,37)25-6-4-3-5-7-25/h3-18,31H,19H2,1-2H3,(H,30,33)
InChIKeySSYBCWXPNYUKIN-UHFFFAOYSA-N
MW660.57 g/mol
LogP5.10
Rot. Bonds11

About 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide

2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 43880649) has the molecular formula C28H26BrN3O7S2 and a molecular weight of 660.57 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
PubChem CID43880649
Molecular FormulaC28H26BrN3O7S2
Molecular Weight660.57 g/mol
Exact Mass659.04
IUPAC Name2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C28H26BrN3O7S2/c1-38-23-14-17-27(39-2)26(18-23)31-40(34,35)24-15-10-21(11-16-24)30-28(33)19-32(22-12-8-20(29)9-13-22)41(36,37)25-6-4-3-5-7-25/h3-18,31H,19H2,1-2H3,(H,30,33)
InChIKeySSYBCWXPNYUKIN-UHFFFAOYSA-N
XLogP5.10
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.57
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]acetamide
CID 43881547
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880378
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880310
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43879851
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126179339
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 43882227
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43879887
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43881594
N-(2,5-dimethoxyphenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1098083
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 18891028
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3921023
2-(N-(5-bromo-2-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 1323779

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide (CID 43880649) is 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide is COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccccc3)cc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is SSYBCWXPNYUKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26BrN3O7S2/c1-38-23-14-17-27(39-2)26(18-23)31-40(34,35)24-15-10-21(11-16-24)30-28(33)19-32(22-12-8-20(29)9-13-22)41(36,37)25-6-4-3-5-7-25/h3-18,31H,19H2,1-2H3,(H,30,33).
What are the key properties of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide?
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 660.57 g/mol, XLogP of 5.10, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 43880649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).