4-(4-bromophenyl)sulfonyl-2-butyl-1-chlorobenzene

C16H16BrClO2S — CID 19787081

IUPAC4-(4-bromophenyl)sulfonyl-2-butyl-1-chlorobenzene
SMILESCCCCc1cc(S(=O)(=O)c2ccc(Br)cc2)ccc1Cl
InChIInChI=1S/C16H16BrClO2S/c1-2-3-4-12-11-15(9-10-16(12)18)21(19,20)14-7-5-13(17)6-8-14/h5-11H,2-4H2,1H3
InChIKeyBTGPJZYBIRWKBK-UHFFFAOYSA-N
MW387.73 g/mol
LogP5.28
Rot. Bonds5

About 4-(4-bromophenyl)sulfonyl-2-butyl-1-chlorobenzene

4-(4-bromophenyl)sulfonyl-2-butyl-1-chlorobenzene (PubChem CID 19787081) has the molecular formula C16H16BrClO2S and a molecular weight of 387.73 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfonyl-2-butyl-1-chlorobenzene.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfonyl-2-butyl-1-chlorobenzene
PubChem CID19787081
Molecular FormulaC16H16BrClO2S
Molecular Weight387.73 g/mol
Exact Mass385.97
IUPAC Name4-(4-bromophenyl)sulfonyl-2-butyl-1-chlorobenzene
SMILESCCCCc1cc(S(=O)(=O)c2ccc(Br)cc2)ccc1Cl
InChIInChI=1S/C16H16BrClO2S/c1-2-3-4-12-11-15(9-10-16(12)18)21(19,20)14-7-5-13(17)6-8-14/h5-11H,2-4H2,1H3
InChIKeyBTGPJZYBIRWKBK-UHFFFAOYSA-N
XLogP5.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.73
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-bromophenyl)sulfonyl-2-butyl-1-chlorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfonyl-2-butyl-1-chlorobenzene?
The IUPAC name of 4-(4-bromophenyl)sulfonyl-2-butyl-1-chlorobenzene (CID 19787081) is 4-(4-bromophenyl)sulfonyl-2-butyl-1-chlorobenzene.
What is the SMILES notation for 4-(4-bromophenyl)sulfonyl-2-butyl-1-chlorobenzene?
The canonical SMILES for 4-(4-bromophenyl)sulfonyl-2-butyl-1-chlorobenzene is CCCCc1cc(S(=O)(=O)c2ccc(Br)cc2)ccc1Cl.
What is the InChIKey of 4-(4-bromophenyl)sulfonyl-2-butyl-1-chlorobenzene?
The InChIKey is BTGPJZYBIRWKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO2S/c1-2-3-4-12-11-15(9-10-16(12)18)21(19,20)14-7-5-13(17)6-8-14/h5-11H,2-4H2,1H3.
What are the key properties of 4-(4-bromophenyl)sulfonyl-2-butyl-1-chlorobenzene?
4-(4-bromophenyl)sulfonyl-2-butyl-1-chlorobenzene has a molecular weight of 387.73 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfonyl-2-butyl-1-chlorobenzene is sourced from PubChem (CID 19787081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).