2-[(2-chlorocyclohexyl)amino]-N,N-dimethylbenzenesulfonamide

C14H21ClN2O2S — CID 65029451

IUPAC2-[(2-chlorocyclohexyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1NC1CCCCC1Cl
InChIInChI=1S/C14H21ClN2O2S/c1-17(2)20(18,19)14-10-6-5-9-13(14)16-12-8-4-3-7-11(12)15/h5-6,9-12,16H,3-4,7-8H2,1-2H3
InChIKeyKKFDNIWYKKAGPS-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.90
Rot. Bonds4

About 2-[(2-chlorocyclohexyl)amino]-N,N-dimethylbenzenesulfonamide

2-[(2-chlorocyclohexyl)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 65029451) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 2-[(2-chlorocyclohexyl)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(2-chlorocyclohexyl)amino]-N,N-dimethylbenzenesulfonamide
PubChem CID65029451
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name2-[(2-chlorocyclohexyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1NC1CCCCC1Cl
InChIInChI=1S/C14H21ClN2O2S/c1-17(2)20(18,19)14-10-6-5-9-13(14)16-12-8-4-3-7-11(12)15/h5-6,9-12,16H,3-4,7-8H2,1-2H3
InChIKeyKKFDNIWYKKAGPS-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide
CID 43383449
2-(cycloheptylamino)-N,N-dimethylbenzenesulfonamide
CID 43454494
2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzenesulfonamide
CID 79870620
N,N-dimethyl-2-[[(2-methylsulfonylcyclohexyl)amino]methyl]benzenesulfonamide
CID 136520483
2-(2-cyclopentylethylamino)-N,N-dimethylbenzenesulfonamide
CID 60920166
N,N-dimethyl-2-(piperidin-3-ylamino)benzenesulfonamide
CID 55203561
2-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 106126119
N,N-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide
CID 64667593
2-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethylbenzenesulfonamide
CID 63759663
N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzenesulfonamide
CID 63656151
2-(2-methylsulfonylanilino)cyclohexane-1-carboxylic acid
CID 64816669
[2-(2-propylsulfonylanilino)cyclohexyl]methanol
CID 106362332

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorocyclohexyl)amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-[(2-chlorocyclohexyl)amino]-N,N-dimethylbenzenesulfonamide (CID 65029451) is 2-[(2-chlorocyclohexyl)amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-[(2-chlorocyclohexyl)amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-[(2-chlorocyclohexyl)amino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1NC1CCCCC1Cl.
What is the InChIKey of 2-[(2-chlorocyclohexyl)amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is KKFDNIWYKKAGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-17(2)20(18,19)14-10-6-5-9-13(14)16-12-8-4-3-7-11(12)15/h5-6,9-12,16H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[(2-chlorocyclohexyl)amino]-N,N-dimethylbenzenesulfonamide?
2-[(2-chlorocyclohexyl)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorocyclohexyl)amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 65029451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).