4-(4-bromophenyl)benzenesulfonamide

C12H10BrNO2S — CID 59097633

IUPAC4-(4-bromophenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C12H10BrNO2S/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H,(H2,14,15,16)
InChIKeyMPOYZWHWJKUBCW-UHFFFAOYSA-N
MW312.19 g/mol
LogP2.76
Rot. Bonds2

About 4-(4-bromophenyl)benzenesulfonamide

4-(4-bromophenyl)benzenesulfonamide (PubChem CID 59097633) has the molecular formula C12H10BrNO2S and a molecular weight of 312.19 g/mol. Its IUPAC name is 4-(4-bromophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-bromophenyl)benzenesulfonamide
PubChem CID59097633
Molecular FormulaC12H10BrNO2S
Molecular Weight312.19 g/mol
Exact Mass310.96
IUPAC Name4-(4-bromophenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C12H10BrNO2S/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H,(H2,14,15,16)
InChIKeyMPOYZWHWJKUBCW-UHFFFAOYSA-N
XLogP2.76
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Phenylbenzene-1-sulfonamide
CID 5017140
4'-Bromo-4-mercaptobiphenyl
CID 13193704
4-[4-(4-Bromophenyl)phenyl]benzenesulfonamide
CID 127024991
4'-Bromobiphenyl-4-sulfonyl chloride
CID 2756845
2-(4-Bromophenyl)ethane-1-sulfonamide
CID 90953213
N-[(2S)-2-(4-bromophenyl)-2-fluoroethyl]-4-methylbenzenesulfonamide
CID 139185887
4-bromo-N-tosyl-benzene-sulfonimidoyl fluoride
CID 163201511
4-[3-(4-Bromophenyl)-5-phenyl-cyclopent-2-en-1-yl]benzenesulfonamide
CID 71597105
4-[4-Bromo-3-(4-bromophenyl)-5-phenyl-cyclopent-2-en-1-yl]benzenesulfonamide
CID 71597244
1-[1-(4-Bromophenyl)ethylsulfonyl]-4-methylbenzene
CID 135065541
Bromo-biphenylsulfonamide
CID 20216631
((E)-p-Bromostyryl)(p-tolyl) sulfone
CID 49846043

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)benzenesulfonamide?
The IUPAC name of 4-(4-bromophenyl)benzenesulfonamide (CID 59097633) is 4-(4-bromophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-bromophenyl)benzenesulfonamide?
The canonical SMILES for 4-(4-bromophenyl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)benzenesulfonamide?
The InChIKey is MPOYZWHWJKUBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2S/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H,(H2,14,15,16).
What are the key properties of 4-(4-bromophenyl)benzenesulfonamide?
4-(4-bromophenyl)benzenesulfonamide has a molecular weight of 312.19 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)benzenesulfonamide is sourced from PubChem (CID 59097633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).