2-bromo-N-octan-4-ylbenzenesulfonamide

C14H22BrNO2S — CID 106025735

IUPAC2-bromo-N-octan-4-ylbenzenesulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C14H22BrNO2S/c1-3-5-9-12(8-4-2)16-19(17,18)14-11-7-6-10-13(14)15/h6-7,10-12,16H,3-5,8-9H2,1-2H3
InChIKeyWTICZJIEKDJNLG-UHFFFAOYSA-N
MW348.31 g/mol
LogP4.09
Rot. Bonds8

About 2-bromo-N-octan-4-ylbenzenesulfonamide

2-bromo-N-octan-4-ylbenzenesulfonamide (PubChem CID 106025735) has the molecular formula C14H22BrNO2S and a molecular weight of 348.31 g/mol. Its IUPAC name is 2-bromo-N-octan-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-octan-4-ylbenzenesulfonamide
PubChem CID106025735
Molecular FormulaC14H22BrNO2S
Molecular Weight348.31 g/mol
Exact Mass347.06
IUPAC Name2-bromo-N-octan-4-ylbenzenesulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C14H22BrNO2S/c1-3-5-9-12(8-4-2)16-19(17,18)14-11-7-6-10-13(14)15/h6-7,10-12,16H,3-5,8-9H2,1-2H3
InChIKeyWTICZJIEKDJNLG-UHFFFAOYSA-N
XLogP4.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-octan-4-ylbenzenesulfonamide 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

2-bromo-N-pentan-2-ylbenzenesulfonamide
CID 3753439
2-bromo-5-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide
CID 106022484
2-bromo-N-(1-cyanobutyl)benzenesulfonamide
CID 61123856
3-(aminomethyl)-2-methyl-N-octan-4-ylbenzenesulfonamide
CID 106094704
N-nonan-4-ylbenzenesulfonamide
CID 174769116
2-(aminomethyl)-N-octan-4-ylpyridine-3-sulfonamide
CID 106024236
4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide
CID 106022120
N-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide
CID 80698004
2-cyano-N-octan-4-ylpyridine-3-sulfonamide
CID 106546437
5-bromo-2-(methylamino)-N-octan-4-ylpyridine-3-sulfonamide
CID 106027676
N-(1-aminohexan-2-yl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 120712542
(3S)-3-[(2-aminophenyl)sulfonylamino]-N-hydroxyheptanamide
CID 131857615

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-octan-4-ylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-octan-4-ylbenzenesulfonamide (CID 106025735) is 2-bromo-N-octan-4-ylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-octan-4-ylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-octan-4-ylbenzenesulfonamide is CCCCC(CCC)NS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-octan-4-ylbenzenesulfonamide?
The InChIKey is WTICZJIEKDJNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2S/c1-3-5-9-12(8-4-2)16-19(17,18)14-11-7-6-10-13(14)15/h6-7,10-12,16H,3-5,8-9H2,1-2H3.
What are the key properties of 2-bromo-N-octan-4-ylbenzenesulfonamide?
2-bromo-N-octan-4-ylbenzenesulfonamide has a molecular weight of 348.31 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-octan-4-ylbenzenesulfonamide is sourced from PubChem (CID 106025735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).