3-amino-5-chloro-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide

C13H19ClN2O2S — CID 114380201

IUPAC3-amino-5-chloro-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)NCCC1CCC1
InChIInChI=1S/C13H19ClN2O2S/c1-9-12(15)7-11(14)8-13(9)19(17,18)16-6-5-10-3-2-4-10/h7-8,10,16H,2-6,15H2,1H3
InChIKeyWTZXPIXZMLBSDB-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.70
Rot. Bonds5

About 3-amino-5-chloro-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide

3-amino-5-chloro-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide (PubChem CID 114380201) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
PubChem CID114380201
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name3-amino-5-chloro-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)NCCC1CCC1
InChIInChI=1S/C13H19ClN2O2S/c1-9-12(15)7-11(14)8-13(9)19(17,18)16-6-5-10-3-2-4-10/h7-8,10,16H,2-6,15H2,1H3
InChIKeyWTZXPIXZMLBSDB-UHFFFAOYSA-N
XLogP2.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.70
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

3-amino-5-chloro-N-(2-cyclopentylethyl)-2-methylbenzenesulfonamide
CID 114379038
3-amino-5-chloro-N-(2-cyclohexylethyl)-2-fluorobenzenesulfonamide
CID 103050733
3-amino-5-chloro-N-(3,3-dimethylbutyl)-2-methylbenzenesulfonamide
CID 114380295
3-amino-5-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylbenzenesulfonamide
CID 114379842
3-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methylbenzenesulfonamide
CID 114379774
3-amino-5-chloro-2-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 114379143
3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843473
3-amino-5-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylbenzenesulfonamide
CID 106333439
3-amino-5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-2-methylbenzenesulfonamide
CID 114379407
3-amino-5-chloro-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 114380077
3-amino-5-chloro-N-(4-ethylcyclohexyl)-2-methylbenzenesulfonamide
CID 114379325
3-amino-5-chloro-N-hex-5-ynyl-2-methylbenzenesulfonamide
CID 106208427

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide (CID 114380201) is 3-amino-5-chloro-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide is Cc1c(N)cc(Cl)cc1S(=O)(=O)NCCC1CCC1.
What is the InChIKey of 3-amino-5-chloro-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide?
The InChIKey is WTZXPIXZMLBSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-9-12(15)7-11(14)8-13(9)19(17,18)16-6-5-10-3-2-4-10/h7-8,10,16H,2-6,15H2,1H3.
What are the key properties of 3-amino-5-chloro-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide?
3-amino-5-chloro-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 114380201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).