N-(4-aminocyclohexyl)-3,5-dichloro-N-methylbenzenesulfonamide

C13H18Cl2N2O2S — CID 79120752

IUPACN-(4-aminocyclohexyl)-3,5-dichloro-N-methylbenzenesulfonamide
SMILESCN(C1CCC(N)CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H18Cl2N2O2S/c1-17(12-4-2-11(16)3-5-12)20(18,19)13-7-9(14)6-10(15)8-13/h6-8,11-12H,2-5,16H2,1H3
InChIKeyOPSHJIVEABREEL-UHFFFAOYSA-N
MW337.27 g/mol
LogP2.88
Rot. Bonds3

About N-(4-aminocyclohexyl)-3,5-dichloro-N-methylbenzenesulfonamide

N-(4-aminocyclohexyl)-3,5-dichloro-N-methylbenzenesulfonamide (PubChem CID 79120752) has the molecular formula C13H18Cl2N2O2S and a molecular weight of 337.27 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3,5-dichloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3,5-dichloro-N-methylbenzenesulfonamide
PubChem CID79120752
Molecular FormulaC13H18Cl2N2O2S
Molecular Weight337.27 g/mol
Exact Mass336.05
IUPAC NameN-(4-aminocyclohexyl)-3,5-dichloro-N-methylbenzenesulfonamide
SMILESCN(C1CCC(N)CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H18Cl2N2O2S/c1-17(12-4-2-11(16)3-5-12)20(18,19)13-7-9(14)6-10(15)8-13/h6-8,11-12H,2-5,16H2,1H3
InChIKeyOPSHJIVEABREEL-UHFFFAOYSA-N
XLogP2.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide
CID 79121392
N-(4-aminocyclohexyl)-4-bromo-2,6-dichloro-N-methylbenzenesulfonamide
CID 79113443
N-(4-aminocyclohexyl)-4-methoxy-N-methylbenzenesulfonamide
CID 79122048
N-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide
CID 79121472
N-(4-aminocyclohexyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 103099464
N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 79121895
3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43264640
3-amino-N-cyclopropyl-N,5-dimethylbenzenesulfonamide
CID 43264620
N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089103
3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57395160
3-amino-5-chloro-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
CID 43266875
N-(4-aminocyclohexyl)-N,5-dimethylthiophene-2-sulfonamide
CID 79120828

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3,5-dichloro-N-methylbenzenesulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-3,5-dichloro-N-methylbenzenesulfonamide (CID 79120752) is N-(4-aminocyclohexyl)-3,5-dichloro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3,5-dichloro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3,5-dichloro-N-methylbenzenesulfonamide is CN(C1CCC(N)CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(4-aminocyclohexyl)-3,5-dichloro-N-methylbenzenesulfonamide?
The InChIKey is OPSHJIVEABREEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2S/c1-17(12-4-2-11(16)3-5-12)20(18,19)13-7-9(14)6-10(15)8-13/h6-8,11-12H,2-5,16H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-3,5-dichloro-N-methylbenzenesulfonamide?
N-(4-aminocyclohexyl)-3,5-dichloro-N-methylbenzenesulfonamide has a molecular weight of 337.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3,5-dichloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 79120752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).