3-amino-4-bromo-N-(2-cyclopentylethyl)benzenesulfonamide

C13H19BrN2O2S — CID 115328855

IUPAC3-amino-4-bromo-N-(2-cyclopentylethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCC2CCCC2)ccc1Br
InChIInChI=1S/C13H19BrN2O2S/c14-12-6-5-11(9-13(12)15)19(17,18)16-8-7-10-3-1-2-4-10/h5-6,9-10,16H,1-4,7-8,15H2
InChIKeyZCGDANUZNGMKFI-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.89
Rot. Bonds5

About 3-amino-4-bromo-N-(2-cyclopentylethyl)benzenesulfonamide

3-amino-4-bromo-N-(2-cyclopentylethyl)benzenesulfonamide (PubChem CID 115328855) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(2-cyclopentylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(2-cyclopentylethyl)benzenesulfonamide
PubChem CID115328855
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC Name3-amino-4-bromo-N-(2-cyclopentylethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCC2CCCC2)ccc1Br
InChIInChI=1S/C13H19BrN2O2S/c14-12-6-5-11(9-13(12)15)19(17,18)16-8-7-10-3-1-2-4-10/h5-6,9-10,16H,1-4,7-8,15H2
InChIKeyZCGDANUZNGMKFI-UHFFFAOYSA-N
XLogP2.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-4-bromo-N-(2-cyclopentylethyl)benzenesulfonamide 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

4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide
CID 82843865
4-amino-N-(2-cyclopentylethyl)-3-nitrobenzenesulfonamide
CID 60920840
4-amino-3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide
CID 114514910
3-amino-4-bromo-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 115329018
3-amino-4-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide
CID 115328868
3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012518
3-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 115328557
4-(2-cyclopentylethylsulfamoyl)benzenesulfonyl fluoride
CID 114958186
3-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 115329563
4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 115329624
3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 115329229
3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 60920158

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(2-cyclopentylethyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-bromo-N-(2-cyclopentylethyl)benzenesulfonamide (CID 115328855) is 3-amino-4-bromo-N-(2-cyclopentylethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-bromo-N-(2-cyclopentylethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-bromo-N-(2-cyclopentylethyl)benzenesulfonamide is Nc1cc(S(=O)(=O)NCCC2CCCC2)ccc1Br.
What is the InChIKey of 3-amino-4-bromo-N-(2-cyclopentylethyl)benzenesulfonamide?
The InChIKey is ZCGDANUZNGMKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c14-12-6-5-11(9-13(12)15)19(17,18)16-8-7-10-3-1-2-4-10/h5-6,9-10,16H,1-4,7-8,15H2.
What are the key properties of 3-amino-4-bromo-N-(2-cyclopentylethyl)benzenesulfonamide?
3-amino-4-bromo-N-(2-cyclopentylethyl)benzenesulfonamide has a molecular weight of 347.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-(2-cyclopentylethyl)benzenesulfonamide is sourced from PubChem (CID 115328855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).