2-amino-6-chloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide

C13H19ClN2O2S — CID 79860879

IUPAC2-amino-6-chloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
SMILESCC1(C)CCCC1NS(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C13H19ClN2O2S/c1-13(2)8-4-7-11(13)16-19(17,18)12-9(14)5-3-6-10(12)15/h3,5-6,11,16H,4,7-8,15H2,1-2H3
InChIKeyUAOKJKBEBJIXAY-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.78
Rot. Bonds3

About 2-amino-6-chloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide

2-amino-6-chloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide (PubChem CID 79860879) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
PubChem CID79860879
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name2-amino-6-chloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
SMILESCC1(C)CCCC1NS(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C13H19ClN2O2S/c1-13(2)8-4-7-11(13)16-19(17,18)12-9(14)5-3-6-10(12)15/h3,5-6,11,16H,4,7-8,15H2,1-2H3
InChIKeyUAOKJKBEBJIXAY-UHFFFAOYSA-N
XLogP2.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.78
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-amino-2,6-dichloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79861863
2-amino-N-(2,2-dimethylcyclopentyl)-3,6-dimethylbenzenesulfonamide
CID 103171642
3-amino-N-(2,2-dimethylcyclopentyl)-2-nitrobenzenesulfonamide
CID 115993737
2-amino-4,6-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79861380
2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide
CID 79861056
4-amino-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide
CID 79861627
2-amino-6-chloro-N-(2-methoxycyclopentyl)benzenesulfonamide
CID 62087824
2-amino-N-(2,2-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 79861785
N-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327301
N-(2,2-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
CID 79833951
2-amino-N-(2,2-dimethylcyclopentyl)-5-nitrobenzenesulfonamide
CID 79870393
2-amino-N-(2,2-dimethylcyclopentyl)-4-nitrobenzenesulfonamide
CID 79870556

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide?
The IUPAC name of 2-amino-6-chloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide (CID 79860879) is 2-amino-6-chloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-chloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-chloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide is CC1(C)CCCC1NS(=O)(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-6-chloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide?
The InChIKey is UAOKJKBEBJIXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-13(2)8-4-7-11(13)16-19(17,18)12-9(14)5-3-6-10(12)15/h3,5-6,11,16H,4,7-8,15H2,1-2H3.
What are the key properties of 2-amino-6-chloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide?
2-amino-6-chloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 79860879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).