4-amino-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide

C13H20N2O2S — CID 55172811

IUPAC4-amino-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NC1CCCC1C
InChIInChI=1S/C13H20N2O2S/c1-9-4-3-5-12(9)15-18(16,17)13-7-6-11(14)8-10(13)2/h6-9,12,15H,3-5,14H2,1-2H3
InChIKeyZOSNHIHBBLZZQP-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.04
Rot. Bonds3

About 4-amino-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide

4-amino-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide (PubChem CID 55172811) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide
PubChem CID55172811
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-amino-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NC1CCCC1C
InChIInChI=1S/C13H20N2O2S/c1-9-4-3-5-12(9)15-18(16,17)13-7-6-11(14)8-10(13)2/h6-9,12,15H,3-5,14H2,1-2H3
InChIKeyZOSNHIHBBLZZQP-UHFFFAOYSA-N
XLogP2.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.04
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-bromo-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43256037
4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 106358885
4-amino-2,6-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 79588504
4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 39116281
2,5-dibromo-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide
CID 81435568
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide
CID 107213448
4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 116528616
4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63277680
2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064380
2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2984852
2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515702
5-(3-aminoprop-1-ynyl)-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63279395

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide (CID 55172811) is 4-amino-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)NC1CCCC1C.
What is the InChIKey of 4-amino-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide?
The InChIKey is ZOSNHIHBBLZZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-4-3-5-12(9)15-18(16,17)13-7-6-11(14)8-10(13)2/h6-9,12,15H,3-5,14H2,1-2H3.
What are the key properties of 4-amino-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide?
4-amino-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 55172811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).