4-bromo-N-phenylbenzenesulfonamide

C12H10BrNO2S — CID 564228

IUPAC4-bromo-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C12H10BrNO2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9,14H
InChIKeyZCUJCYISOKHAAW-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.25
Rot. Bonds3

About 4-bromo-N-phenylbenzenesulfonamide

4-bromo-N-phenylbenzenesulfonamide (PubChem CID 564228) has the molecular formula C12H10BrNO2S and a molecular weight of 312.19 g/mol. Its IUPAC name is 4-bromo-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-phenylbenzenesulfonamide
PubChem CID564228
Molecular FormulaC12H10BrNO2S
Molecular Weight312.19 g/mol
Exact Mass310.96
IUPAC Name4-bromo-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C12H10BrNO2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9,14H
InChIKeyZCUJCYISOKHAAW-UHFFFAOYSA-N
XLogP3.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Sulfabenz
CID 31390
Benzenesulfonamide, 3-amino-N-phenyl-
CID 66454
4-Fluoro-N-phenylbenzenesulfonamide
CID 67559
4-Amino-3-bromobenzene-1-sulfonamide
CID 3526523
4'-Bromobenzenesulfonanilide
CID 293101
Benzenesulfonanilide
CID 74296
4-(4-Bromobenzene-1-sulfonyl)aniline
CID 246562
N-(4-fluorophenyl)benzenesulfonamide
CID 295229
ST50686756
CID 1129664
3-amino-N-(4-bromophenyl)benzene-1-sulfonamide
CID 3568545
2-amino-N-phenylbenzene-1-sulfonamide
CID 291711
N-(4-aminophenyl)benzenesulfonamide
CID 231839

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-phenylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-phenylbenzenesulfonamide (CID 564228) is 4-bromo-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-phenylbenzenesulfonamide is O=S(=O)(Nc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-phenylbenzenesulfonamide?
The InChIKey is ZCUJCYISOKHAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9,14H.
What are the key properties of 4-bromo-N-phenylbenzenesulfonamide?
4-bromo-N-phenylbenzenesulfonamide has a molecular weight of 312.19 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-phenylbenzenesulfonamide is sourced from PubChem (CID 564228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).