5-bromo-2-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-N-methylsulfonylbenzamide

C22H19BrClN3O6S2 — CID 10416149

IUPAC5-bromo-2-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-N-methylsulfonylbenzamide
SMILESCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)cc2C(=O)NS(C)(=O)=O)c1
InChIInChI=1S/C22H19BrClN3O6S2/c1-27(17-9-7-16(24)8-10-17)35(32,33)18-5-3-4-14(12-18)21(28)25-20-11-6-15(23)13-19(20)22(29)26-34(2,30)31/h3-13H,1-2H3,(H,25,28)(H,26,29)
InChIKeyXZHRXHVCKKTARC-UHFFFAOYSA-N
MW600.90 g/mol
LogP3.87
Rot. Bonds7

About 5-bromo-2-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-N-methylsulfonylbenzamide

5-bromo-2-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-N-methylsulfonylbenzamide (PubChem CID 10416149) has the molecular formula C22H19BrClN3O6S2 and a molecular weight of 600.90 g/mol. Its IUPAC name is 5-bromo-2-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name5-bromo-2-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-N-methylsulfonylbenzamide
PubChem CID10416149
Molecular FormulaC22H19BrClN3O6S2
Molecular Weight600.90 g/mol
Exact Mass598.96
IUPAC Name5-bromo-2-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-N-methylsulfonylbenzamide
SMILESCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)cc2C(=O)NS(C)(=O)=O)c1
InChIInChI=1S/C22H19BrClN3O6S2/c1-27(17-9-7-16(24)8-10-17)35(32,33)18-5-3-4-14(12-18)21(28)25-20-11-6-15(23)13-19(20)22(29)26-34(2,30)31/h3-13H,1-2H3,(H,25,28)(H,26,29)
InChIKeyXZHRXHVCKKTARC-UHFFFAOYSA-N
XLogP3.87
TPSA129.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.90
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2711755
3-[(4-bromophenyl)-methylsulfamoyl]-N-(5-hydroxy-2-pyridinyl)benzamide
CID 90342470
6-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]pyridine-3-carboxylic acid
CID 86729965
N-(2,5-dichlorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 42991866
3-[2-(4-bromo-2-fluorophenyl)acetyl]-N-(4-chlorophenyl)-N-methylbenzenesulfonamide
CID 148963932
N-(2,5-difluorophenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2711426
N-(4-bromo-2-fluorophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2711561
N-[3-[(4-chlorophenyl)-methylsulfamoyl]phenyl]-4-isocyanobenzamide
CID 123618851
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2,5-difluorophenyl)benzamide
CID 2711433
5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 26896379
N-(5-chloro-2-fluorophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2664609
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4653870

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-N-methylsulfonylbenzamide?
The IUPAC name of 5-bromo-2-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-N-methylsulfonylbenzamide (CID 10416149) is 5-bromo-2-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-N-methylsulfonylbenzamide.
What is the SMILES notation for 5-bromo-2-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-N-methylsulfonylbenzamide?
The canonical SMILES for 5-bromo-2-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-N-methylsulfonylbenzamide is CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)cc2C(=O)NS(C)(=O)=O)c1.
What is the InChIKey of 5-bromo-2-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-N-methylsulfonylbenzamide?
The InChIKey is XZHRXHVCKKTARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrClN3O6S2/c1-27(17-9-7-16(24)8-10-17)35(32,33)18-5-3-4-14(12-18)21(28)25-20-11-6-15(23)13-19(20)22(29)26-34(2,30)31/h3-13H,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 5-bromo-2-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-N-methylsulfonylbenzamide?
5-bromo-2-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-N-methylsulfonylbenzamide has a molecular weight of 600.90 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-N-methylsulfonylbenzamide is sourced from PubChem (CID 10416149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).