2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide

C27H23BrClN3O5S2 — CID 43882335

IUPAC2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C27H23BrClN3O5S2/c1-19-25(29)8-5-9-26(19)31-38(34,35)23-16-12-21(13-17-23)30-27(33)18-32(22-14-10-20(28)11-15-22)39(36,37)24-6-3-2-4-7-24/h2-17,31H,18H2,1H3,(H,30,33)
InChIKeyGHZWMRIAWMQVOA-UHFFFAOYSA-N
MW648.99 g/mol
LogP6.05
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide

2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 43882335) has the molecular formula C27H23BrClN3O5S2 and a molecular weight of 648.99 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID43882335
Molecular FormulaC27H23BrClN3O5S2
Molecular Weight648.99 g/mol
Exact Mass647.00
IUPAC Name2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C27H23BrClN3O5S2/c1-19-25(29)8-5-9-26(19)31-38(34,35)23-16-12-21(13-17-23)30-27(33)18-32(22-14-10-20(28)11-15-22)39(36,37)24-6-3-2-4-7-24/h2-17,31H,18H2,1H3,(H,30,33)
InChIKeyGHZWMRIAWMQVOA-UHFFFAOYSA-N
XLogP6.05
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.99
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880869
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880667
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 51344158
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide
CID 126335503
2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43882163
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43879887
2-(4-bromo-N-methylsulfonylanilino)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 43882280
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43882330
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]acetamide
CID 43881103
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 43915486
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 3555680
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43880995

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide (CID 43882335) is 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide is Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is GHZWMRIAWMQVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23BrClN3O5S2/c1-19-25(29)8-5-9-26(19)31-38(34,35)23-16-12-21(13-17-23)30-27(33)18-32(22-14-10-20(28)11-15-22)39(36,37)24-6-3-2-4-7-24/h2-17,31H,18H2,1H3,(H,30,33).
What are the key properties of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide?
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 648.99 g/mol, XLogP of 6.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 43882335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).