3-bromo-4-(3-cyclopentylpropanoylamino)benzenesulfonyl chloride

C14H17BrClNO3S — CID 43096758

IUPAC3-bromo-4-(3-cyclopentylpropanoylamino)benzenesulfonyl chloride
SMILESO=C(CCC1CCCC1)Nc1ccc(S(=O)(=O)Cl)cc1Br
InChIInChI=1S/C14H17BrClNO3S/c15-12-9-11(21(16,19)20)6-7-13(12)17-14(18)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H,17,18)
InChIKeyHOPHALCJJQTETB-UHFFFAOYSA-N
MW394.72 g/mol
LogP4.29
Rot. Bonds5

About 3-bromo-4-(3-cyclopentylpropanoylamino)benzenesulfonyl chloride

3-bromo-4-(3-cyclopentylpropanoylamino)benzenesulfonyl chloride (PubChem CID 43096758) has the molecular formula C14H17BrClNO3S and a molecular weight of 394.72 g/mol. Its IUPAC name is 3-bromo-4-(3-cyclopentylpropanoylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-bromo-4-(3-cyclopentylpropanoylamino)benzenesulfonyl chloride
PubChem CID43096758
Molecular FormulaC14H17BrClNO3S
Molecular Weight394.72 g/mol
Exact Mass392.98
IUPAC Name3-bromo-4-(3-cyclopentylpropanoylamino)benzenesulfonyl chloride
SMILESO=C(CCC1CCCC1)Nc1ccc(S(=O)(=O)Cl)cc1Br
InChIInChI=1S/C14H17BrClNO3S/c15-12-9-11(21(16,19)20)6-7-13(12)17-14(18)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H,17,18)
InChIKeyHOPHALCJJQTETB-UHFFFAOYSA-N
XLogP4.29
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.72
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-4-(3-cyclopentylpropanoylamino)benzenesulfonyl chloride with MolForge

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

Launch Full Analysis

Related Compounds

3-bromo-4-[3-(oxolan-2-yl)propanoylamino]benzenesulfonyl chloride
CID 65157153
N-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide
CID 82757064
4-[(3-cyclopentylpropanoylamino)methyl]benzenesulfonyl chloride
CID 43094957
N-(4-bromo-2,3-dimethylphenyl)-3-cyclohexylpropanamide
CID 957346
4-[(2-cyclobutylacetyl)amino]-3-methylbenzenesulfonyl chloride
CID 103162291
N-(5-bromo-2-iodophenyl)-3-cyclopentylpropanamide
CID 114259223
3-methyl-4-[3-(oxolan-2-yl)propanoylamino]benzenesulfonyl chloride
CID 65157203
3,4-bis(3-cyclohexylpropanoylamino)benzoate
CID 7309256
N-(2-acetamidophenyl)-3-cyclopentylpropanamide
CID 976246
N-(4-amino-2,6-dibromophenyl)-3-cyclopentylpropanamide
CID 43549384
N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide
CID 79767583
3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide
CID 4588833

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(3-cyclopentylpropanoylamino)benzenesulfonyl chloride?
The IUPAC name of 3-bromo-4-(3-cyclopentylpropanoylamino)benzenesulfonyl chloride (CID 43096758) is 3-bromo-4-(3-cyclopentylpropanoylamino)benzenesulfonyl chloride.
What is the SMILES notation for 3-bromo-4-(3-cyclopentylpropanoylamino)benzenesulfonyl chloride?
The canonical SMILES for 3-bromo-4-(3-cyclopentylpropanoylamino)benzenesulfonyl chloride is O=C(CCC1CCCC1)Nc1ccc(S(=O)(=O)Cl)cc1Br.
What is the InChIKey of 3-bromo-4-(3-cyclopentylpropanoylamino)benzenesulfonyl chloride?
The InChIKey is HOPHALCJJQTETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO3S/c15-12-9-11(21(16,19)20)6-7-13(12)17-14(18)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H,17,18).
What are the key properties of 3-bromo-4-(3-cyclopentylpropanoylamino)benzenesulfonyl chloride?
3-bromo-4-(3-cyclopentylpropanoylamino)benzenesulfonyl chloride has a molecular weight of 394.72 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(3-cyclopentylpropanoylamino)benzenesulfonyl chloride is sourced from PubChem (CID 43096758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).