4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide

C13H19BrN2O2S — CID 43256037

IUPAC4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCCC1NS(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C13H19BrN2O2S/c1-9-4-2-3-5-12(9)16-19(17,18)13-7-6-10(15)8-11(13)14/h6-9,12,16H,2-5,15H2,1H3
InChIKeyYGSIWLJCUWVXGR-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.89
Rot. Bonds3

About 4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide

4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide (PubChem CID 43256037) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide
PubChem CID43256037
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC Name4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCCC1NS(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C13H19BrN2O2S/c1-9-4-2-3-5-12(9)16-19(17,18)13-7-6-10(15)8-11(13)14/h6-9,12,16H,2-5,15H2,1H3
InChIKeyYGSIWLJCUWVXGR-UHFFFAOYSA-N
XLogP2.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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 4-amino-2-bromo-N-(2-methylcyclohexyl)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-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide
CID 55172811
2,5-dibromo-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide
CID 81435568
4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 60640100
4-bromo-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide
CID 39116311
5-amino-4-bromo-2-fluoro-N-(2-methylcycloheptyl)benzenesulfonamide
CID 116530440
2-amino-5-bromo-4-fluoro-N-(2-methylcycloheptyl)benzenesulfonamide
CID 106491879
5-amino-2-bromo-N-(2-methylcyclopropyl)benzenesulfonamide
CID 65207075
N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide
CID 93453140
4-amino-2,6-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 79588504
4-amino-2-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213542
4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 116528616
5-amino-3-chloro-2-fluoro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43257648

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide (CID 43256037) is 4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide is CC1CCCCC1NS(=O)(=O)c1ccc(N)cc1Br.
What is the InChIKey of 4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide?
The InChIKey is YGSIWLJCUWVXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-9-4-2-3-5-12(9)16-19(17,18)13-7-6-10(15)8-11(13)14/h6-9,12,16H,2-5,15H2,1H3.
What are the key properties of 4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide?
4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide has a molecular weight of 347.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 43256037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).