N-(5-bromo-4-methylpentyl)-4-chlorobenzenesulfonamide

C12H17BrClNO2S — CID 106158647

IUPACN-(5-bromo-4-methylpentyl)-4-chlorobenzenesulfonamide
SMILESCC(CBr)CCCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17BrClNO2S/c1-10(9-13)3-2-8-15-18(16,17)12-6-4-11(14)5-7-12/h4-7,10,15H,2-3,8-9H2,1H3
InChIKeyPNNYCDXGUNDECV-UHFFFAOYSA-N
MW354.70 g/mol
LogP3.43
Rot. Bonds7

About N-(5-bromo-4-methylpentyl)-4-chlorobenzenesulfonamide

N-(5-bromo-4-methylpentyl)-4-chlorobenzenesulfonamide (PubChem CID 106158647) has the molecular formula C12H17BrClNO2S and a molecular weight of 354.70 g/mol. Its IUPAC name is N-(5-bromo-4-methylpentyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-methylpentyl)-4-chlorobenzenesulfonamide
PubChem CID106158647
Molecular FormulaC12H17BrClNO2S
Molecular Weight354.70 g/mol
Exact Mass352.99
IUPAC NameN-(5-bromo-4-methylpentyl)-4-chlorobenzenesulfonamide
SMILESCC(CBr)CCCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17BrClNO2S/c1-10(9-13)3-2-8-15-18(16,17)12-6-4-11(14)5-7-12/h4-7,10,15H,2-3,8-9H2,1H3
InChIKeyPNNYCDXGUNDECV-UHFFFAOYSA-N
XLogP3.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.70
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-bromo-4-methylpentyl)-4-chlorobenzenesulfonamide 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-chloro-N-(5-chloro-4-methylpentyl)benzenesulfonamide
CID 106158848
4-chloro-N-(4-methylpentyl)benzenesulfonamide
CID 3318500
N-(5-bromo-4-methylpentyl)-3-methylbenzenesulfonamide
CID 106158703
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide
CID 106158682
2-chloro-14-[(4-chlorophenyl)sulfonylamino]tetradecanoic acid
CID 150676400
4-(bromomethyl)-N-(4-hydroxypentyl)benzenesulfonamide
CID 106137487
N-(5-bromo-4-methylpentyl)methanesulfonamide
CID 106158701
4-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 107849052
4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride
CID 2998823
4-(2-chloroethyl)-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
CID 103858988
4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119972887

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methylpentyl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-4-methylpentyl)-4-chlorobenzenesulfonamide (CID 106158647) is N-(5-bromo-4-methylpentyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-4-methylpentyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-4-methylpentyl)-4-chlorobenzenesulfonamide is CC(CBr)CCCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(5-bromo-4-methylpentyl)-4-chlorobenzenesulfonamide?
The InChIKey is PNNYCDXGUNDECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClNO2S/c1-10(9-13)3-2-8-15-18(16,17)12-6-4-11(14)5-7-12/h4-7,10,15H,2-3,8-9H2,1H3.
What are the key properties of N-(5-bromo-4-methylpentyl)-4-chlorobenzenesulfonamide?
N-(5-bromo-4-methylpentyl)-4-chlorobenzenesulfonamide has a molecular weight of 354.70 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methylpentyl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 106158647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).