2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide

C13H20N2O2S — CID 43266857

IUPAC2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2CCCC2)c(N)c1
InChIInChI=1S/C13H20N2O2S/c1-10-7-8-13(12(14)9-10)18(16,17)15(2)11-5-3-4-6-11/h7-9,11H,3-6,14H2,1-2H3
InChIKeyJFYIHCFNRUTTMI-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.14
Rot. Bonds3

About 2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide

2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide (PubChem CID 43266857) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
PubChem CID43266857
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2CCCC2)c(N)c1
InChIInChI=1S/C13H20N2O2S/c1-10-7-8-13(12(14)9-10)18(16,17)15(2)11-5-3-4-6-11/h7-9,11H,3-6,14H2,1-2H3
InChIKeyJFYIHCFNRUTTMI-UHFFFAOYSA-N
XLogP2.14
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-N-cyclohexyl-N,4-dimethylbenzenesulfonamide
CID 90164879
2-amino-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266885
4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266881
5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
CID 114625046
2-amino-N-cyclobutyl-4-methylbenzenesulfonamide
CID 62414526
4-amino-2-bromo-N-cyclohexyl-N-methylbenzenesulfonamide
CID 43255875
5-amino-4-bromo-N-cyclohexyl-N,2-dimethylbenzenesulfonamide
CID 114624845
2-amino-5-bromo-N-cyclohexyl-N-methylbenzenesulfonamide
CID 54888604
N-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide
CID 79121472
3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide
CID 107343235
3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide
CID 114380287
2-amino-N-(3,3-dimethylbutan-2-yl)-N,4-dimethylbenzenesulfonamide
CID 61112179

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide (CID 43266857) is 2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C2CCCC2)c(N)c1.
What is the InChIKey of 2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide?
The InChIKey is JFYIHCFNRUTTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-7-8-13(12(14)9-10)18(16,17)15(2)11-5-3-4-6-11/h7-9,11H,3-6,14H2,1-2H3.
What are the key properties of 2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide?
2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 43266857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).