3-(1-cyclopentylethylamino)-2-methylbenzenesulfonamide

C14H22N2O2S — CID 62631758

IUPAC3-(1-cyclopentylethylamino)-2-methylbenzenesulfonamide
SMILESCc1c(NC(C)C2CCCC2)cccc1S(N)(=O)=O
InChIInChI=1S/C14H22N2O2S/c1-10-13(8-5-9-14(10)19(15,17)18)16-11(2)12-6-3-4-7-12/h5,8-9,11-12,16H,3-4,6-7H2,1-2H3,(H2,15,17,18)
InChIKeyKNSNOCLPVMPXMC-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.63
Rot. Bonds4

About 3-(1-cyclopentylethylamino)-2-methylbenzenesulfonamide

3-(1-cyclopentylethylamino)-2-methylbenzenesulfonamide (PubChem CID 62631758) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-(1-cyclopentylethylamino)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(1-cyclopentylethylamino)-2-methylbenzenesulfonamide
PubChem CID62631758
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-(1-cyclopentylethylamino)-2-methylbenzenesulfonamide
SMILESCc1c(NC(C)C2CCCC2)cccc1S(N)(=O)=O
InChIInChI=1S/C14H22N2O2S/c1-10-13(8-5-9-14(10)19(15,17)18)16-11(2)12-6-3-4-7-12/h5,8-9,11-12,16H,3-4,6-7H2,1-2H3,(H2,15,17,18)
InChIKeyKNSNOCLPVMPXMC-UHFFFAOYSA-N
XLogP2.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclopropylethylamino)benzenesulfonamide
CID 43533533
N-(1-cyclopentylethyl)-2-methylsulfonylaniline
CID 62631561
2-(1-piperidin-3-ylethylamino)benzenesulfonamide
CID 62046742
N-(1-cyclopropylethyl)-2,3-dimethylaniline
CID 43196438
2-(cyclopentylamino)-N-(2-methyl-3-sulfamoylphenyl)acetamide
CID 60944911
2-(2-methyl-3-sulfamoylanilino)propanoic acid
CID 66173145
3-chloro-N-(1-cyclopropylethyl)-2-methylaniline
CID 43192017
2-methyl-3-[(3-methylcyclobutyl)amino]benzenesulfonamide
CID 103561715
2-amino-3-(cyclohexylamino)benzenesulfonamide
CID 112674592
3-[(2,2-dimethylcyclohexyl)amino]-2-methylbenzenesulfonamide
CID 79836934
2-methyl-3-(thian-3-ylamino)benzenesulfonamide
CID 62870929
3-chloro-1-N-(1-cyclohexylethyl)benzene-1,2-diamine
CID 113458617

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylethylamino)-2-methylbenzenesulfonamide?
The IUPAC name of 3-(1-cyclopentylethylamino)-2-methylbenzenesulfonamide (CID 62631758) is 3-(1-cyclopentylethylamino)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-(1-cyclopentylethylamino)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-(1-cyclopentylethylamino)-2-methylbenzenesulfonamide is Cc1c(NC(C)C2CCCC2)cccc1S(N)(=O)=O.
What is the InChIKey of 3-(1-cyclopentylethylamino)-2-methylbenzenesulfonamide?
The InChIKey is KNSNOCLPVMPXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-13(8-5-9-14(10)19(15,17)18)16-11(2)12-6-3-4-7-12/h5,8-9,11-12,16H,3-4,6-7H2,1-2H3,(H2,15,17,18).
What are the key properties of 3-(1-cyclopentylethylamino)-2-methylbenzenesulfonamide?
3-(1-cyclopentylethylamino)-2-methylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylethylamino)-2-methylbenzenesulfonamide is sourced from PubChem (CID 62631758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).