4-amino-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide

C14H21ClN2O2S — CID 79861627

IUPAC4-amino-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide
SMILESCC1(C)CCCCC1NS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C14H21ClN2O2S/c1-14(2)8-4-3-5-13(14)17-20(18,19)12-7-6-10(16)9-11(12)15/h6-7,9,13,17H,3-5,8,16H2,1-2H3
InChIKeyAUGACIZFGSTDDC-UHFFFAOYSA-N
MW316.85 g/mol
LogP3.17
Rot. Bonds3

About 4-amino-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide

4-amino-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide (PubChem CID 79861627) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide
PubChem CID79861627
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name4-amino-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide
SMILESCC1(C)CCCCC1NS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C14H21ClN2O2S/c1-14(2)8-4-3-5-13(14)17-20(18,19)12-7-6-10(16)9-11(12)15/h6-7,9,13,17H,3-5,8,16H2,1-2H3
InChIKeyAUGACIZFGSTDDC-UHFFFAOYSA-N
XLogP3.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide
CID 79872495
4-amino-2,6-dichloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79861863
4-amino-N-(2,2-dimethylcyclopentyl)-2-methoxybenzenesulfonamide
CID 79861704
2-chloro-1-N-(2,2-dimethylcyclohexyl)benzene-1,4-diamine
CID 79860993
2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide
CID 79861056
2-amino-N-(2,2-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 79861785
5-amino-N-(2,2-dimethylcyclopentyl)-2,3-dimethylbenzenesulfonamide
CID 79860965
4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43373446
2-amino-6-chloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79860879
2-amino-N-(2,2-dimethylcyclopentyl)-4-nitrobenzenesulfonamide
CID 79870556
4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467087
5-bromo-4-chloro-N-(2,2-dimethylcyclohexyl)thiophene-2-sulfonamide
CID 80580128

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide (CID 79861627) is 4-amino-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide is CC1(C)CCCCC1NS(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide?
The InChIKey is AUGACIZFGSTDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-14(2)8-4-3-5-13(14)17-20(18,19)12-7-6-10(16)9-11(12)15/h6-7,9,13,17H,3-5,8,16H2,1-2H3.
What are the key properties of 4-amino-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide?
4-amino-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 79861627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).