5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide

C25H19BrClN3O5S2 — CID 46778728

IUPAC5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C25H19BrClN3O5S2/c26-17-6-8-19(9-7-17)29-37(34,35)22-13-10-18(11-14-22)28-25(31)23-16-20(12-15-24(23)27)30-36(32,33)21-4-2-1-3-5-21/h1-16,29-30H,(H,28,31)
InChIKeyRWTIHBUMCZYTHR-UHFFFAOYSA-N
MW620.93 g/mol
LogP5.96
Rot. Bonds8

About 5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide

5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide (PubChem CID 46778728) has the molecular formula C25H19BrClN3O5S2 and a molecular weight of 620.93 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide.

Molecular Properties

Compound Name5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide
PubChem CID46778728
Molecular FormulaC25H19BrClN3O5S2
Molecular Weight620.93 g/mol
Exact Mass618.96
IUPAC Name5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C25H19BrClN3O5S2/c26-17-6-8-19(9-7-17)29-37(34,35)22-13-10-18(11-14-22)28-25(31)23-16-20(12-15-24(23)27)30-36(32,33)21-4-2-1-3-5-21/h1-16,29-30H,(H,28,31)
InChIKeyRWTIHBUMCZYTHR-UHFFFAOYSA-N
XLogP5.96
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.93
LogP ≤ 55.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide
CID 28575633
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
5-(benzenesulfonamido)-2-chloro-N-(3-chlorophenyl)benzamide
CID 92674550
5-(benzenesulfonamido)-2-chloro-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 43904807
5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 43909921
2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638103
5-(benzenesulfonamido)-2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide
CID 28634197
N-[4-(benzenesulfonamido)phenyl]-2,4-dichlorobenzamide
CID 2311784
4-bromo-2-fluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 164615573
5-bromo-2-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219705

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide?
The IUPAC name of 5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide (CID 46778728) is 5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide.
What is the SMILES notation for 5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide?
The canonical SMILES for 5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl.
What is the InChIKey of 5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide?
The InChIKey is RWTIHBUMCZYTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrClN3O5S2/c26-17-6-8-19(9-7-17)29-37(34,35)22-13-10-18(11-14-22)28-25(31)23-16-20(12-15-24(23)27)30-36(32,33)21-4-2-1-3-5-21/h1-16,29-30H,(H,28,31).
What are the key properties of 5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide?
5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide has a molecular weight of 620.93 g/mol, XLogP of 5.96, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide is sourced from PubChem (CID 46778728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).