2-[(4-bromophenyl)sulfonylamino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]benzamide

C21H19BrClN3O5S2 — CID 3435467

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)ccc1Cl
InChIInChI=1S/C21H19BrClN3O5S2/c1-26(2)33(30,31)20-13-15(9-12-18(20)23)24-21(27)17-5-3-4-6-19(17)25-32(28,29)16-10-7-14(22)8-11-16/h3-13,25H,1-2H3,(H,24,27)
InChIKeyOEHYUGAXPVWXNK-UHFFFAOYSA-N
MW572.89 g/mol
LogP4.41
Rot. Bonds7

About 2-[(4-bromophenyl)sulfonylamino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]benzamide

2-[(4-bromophenyl)sulfonylamino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]benzamide (PubChem CID 3435467) has the molecular formula C21H19BrClN3O5S2 and a molecular weight of 572.89 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]benzamide
PubChem CID3435467
Molecular FormulaC21H19BrClN3O5S2
Molecular Weight572.89 g/mol
Exact Mass570.96
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)ccc1Cl
InChIInChI=1S/C21H19BrClN3O5S2/c1-26(2)33(30,31)20-13-15(9-12-18(20)23)24-21(27)17-5-3-4-6-19(17)25-32(28,29)16-10-7-14(22)8-11-16/h3-13,25H,1-2H3,(H,24,27)
InChIKeyOEHYUGAXPVWXNK-UHFFFAOYSA-N
XLogP4.41
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.89
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-bromophenyl)sulfonylamino]-N-phenylbenzamide
CID 2332035
4-bromo-2-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 78894571
N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 2332106
5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide
CID 46778728
N-(3-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 44898444
2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid
CID 10205135
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-bromo-2-chlorobenzamide
CID 60514790
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)benzamide
CID 2334087
2-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]benzamide
CID 2347642
5-bromo-2-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219705
5-bromo-2-chloro-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 100536288

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]benzamide (CID 3435467) is 2-[(4-bromophenyl)sulfonylamino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]benzamide is CN(C)S(=O)(=O)c1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)ccc1Cl.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]benzamide?
The InChIKey is OEHYUGAXPVWXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrClN3O5S2/c1-26(2)33(30,31)20-13-15(9-12-18(20)23)24-21(27)17-5-3-4-6-19(17)25-32(28,29)16-10-7-14(22)8-11-16/h3-13,25H,1-2H3,(H,24,27).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]benzamide?
2-[(4-bromophenyl)sulfonylamino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]benzamide has a molecular weight of 572.89 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 3435467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).