4-bromo-2-chloro-N-(1-chloro-4-methylpentan-2-yl)benzenesulfonamide

C12H16BrCl2NO2S — CID 65030679

IUPAC4-bromo-2-chloro-N-(1-chloro-4-methylpentan-2-yl)benzenesulfonamide
SMILESCC(C)CC(CCl)NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H16BrCl2NO2S/c1-8(2)5-10(7-14)16-19(17,18)12-4-3-9(13)6-11(12)15/h3-4,6,8,10,16H,5,7H2,1-2H3
InChIKeyWFYUXYKMNUWMDB-UHFFFAOYSA-N
MW389.14 g/mol
LogP4.03
Rot. Bonds6

About 4-bromo-2-chloro-N-(1-chloro-4-methylpentan-2-yl)benzenesulfonamide

4-bromo-2-chloro-N-(1-chloro-4-methylpentan-2-yl)benzenesulfonamide (PubChem CID 65030679) has the molecular formula C12H16BrCl2NO2S and a molecular weight of 389.14 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(1-chloro-4-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(1-chloro-4-methylpentan-2-yl)benzenesulfonamide
PubChem CID65030679
Molecular FormulaC12H16BrCl2NO2S
Molecular Weight389.14 g/mol
Exact Mass386.95
IUPAC Name4-bromo-2-chloro-N-(1-chloro-4-methylpentan-2-yl)benzenesulfonamide
SMILESCC(C)CC(CCl)NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H16BrCl2NO2S/c1-8(2)5-10(7-14)16-19(17,18)12-4-3-9(13)6-11(12)15/h3-4,6,8,10,16H,5,7H2,1-2H3
InChIKeyWFYUXYKMNUWMDB-UHFFFAOYSA-N
XLogP4.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.14
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-2-chloro-N-(1-chloro-4-methylpentan-2-yl)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

CID 43212846
CID 43212846
CID 31847068
CID 31847068
CID 93302282
CID 93302282
CID 2448035
CID 2448035
CID 55529803
CID 55529803
CID 63227872
CID 63227872
CID 79040165
CID 79040165
CID 104854799
CID 104854799
CID 104854803
CID 104854803
CID 106118308
CID 106118308
CID 106356559
CID 106356559
CID 107158256
CID 107158256

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(1-chloro-4-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(1-chloro-4-methylpentan-2-yl)benzenesulfonamide (CID 65030679) is 4-bromo-2-chloro-N-(1-chloro-4-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(1-chloro-4-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(1-chloro-4-methylpentan-2-yl)benzenesulfonamide is CC(C)CC(CCl)NS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(1-chloro-4-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is WFYUXYKMNUWMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrCl2NO2S/c1-8(2)5-10(7-14)16-19(17,18)12-4-3-9(13)6-11(12)15/h3-4,6,8,10,16H,5,7H2,1-2H3.
What are the key properties of 4-bromo-2-chloro-N-(1-chloro-4-methylpentan-2-yl)benzenesulfonamide?
4-bromo-2-chloro-N-(1-chloro-4-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 389.14 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(1-chloro-4-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 65030679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).