4-[4-(4-bromophenyl)phenyl]benzenesulfonamide

C18H14BrNO2S — CID 127024991

IUPAC4-[4-(4-bromophenyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(-c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C18H14BrNO2S/c19-17-9-5-15(6-10-17)13-1-3-14(4-2-13)16-7-11-18(12-8-16)23(20,21)22/h1-12H,(H2,20,21,22)
InChIKeyWFCHDBICEJFHQI-UHFFFAOYSA-N
MW388.29 g/mol
LogP4.43
Rot. Bonds3

About 4-[4-(4-bromophenyl)phenyl]benzenesulfonamide

4-[4-(4-bromophenyl)phenyl]benzenesulfonamide (PubChem CID 127024991) has the molecular formula C18H14BrNO2S and a molecular weight of 388.29 g/mol. Its IUPAC name is 4-[4-(4-bromophenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-bromophenyl)phenyl]benzenesulfonamide
PubChem CID127024991
Molecular FormulaC18H14BrNO2S
Molecular Weight388.29 g/mol
Exact Mass386.99
IUPAC Name4-[4-(4-bromophenyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(-c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C18H14BrNO2S/c19-17-9-5-15(6-10-17)13-1-3-14(4-2-13)16-7-11-18(12-8-16)23(20,21)22/h1-12H,(H2,20,21,22)
InChIKeyWFCHDBICEJFHQI-UHFFFAOYSA-N
XLogP4.43
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.29
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromophenyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-bromophenyl)phenyl]benzenesulfonamide (CID 127024991) is 4-[4-(4-bromophenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-bromophenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-bromophenyl)phenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccc(-c3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(4-bromophenyl)phenyl]benzenesulfonamide?
The InChIKey is WFCHDBICEJFHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO2S/c19-17-9-5-15(6-10-17)13-1-3-14(4-2-13)16-7-11-18(12-8-16)23(20,21)22/h1-12H,(H2,20,21,22).
What are the key properties of 4-[4-(4-bromophenyl)phenyl]benzenesulfonamide?
4-[4-(4-bromophenyl)phenyl]benzenesulfonamide has a molecular weight of 388.29 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromophenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 127024991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).