3-amino-5-chloro-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide

C14H21ClN2O2S — CID 107396992

IUPAC3-amino-5-chloro-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1cc(Cl)cc(N)c1C
InChIInChI=1S/C14H21ClN2O2S/c1-3-17(9-11-5-4-6-11)20(18,19)14-8-12(15)7-13(16)10(14)2/h7-8,11H,3-6,9,16H2,1-2H3
InChIKeyIDIQBXXOOVTICQ-UHFFFAOYSA-N
MW316.85 g/mol
LogP3.04
Rot. Bonds5

About 3-amino-5-chloro-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide

3-amino-5-chloro-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide (PubChem CID 107396992) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
PubChem CID107396992
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name3-amino-5-chloro-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1cc(Cl)cc(N)c1C
InChIInChI=1S/C14H21ClN2O2S/c1-3-17(9-11-5-4-6-11)20(18,19)14-8-12(15)7-13(16)10(14)2/h7-8,11H,3-6,9,16H2,1-2H3
InChIKeyIDIQBXXOOVTICQ-UHFFFAOYSA-N
XLogP3.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 53.04
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

3-amino-5-chloro-N-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide
CID 114378564
3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide
CID 114380287
3-amino-5-chloro-N-ethyl-N-(2-ethylbutyl)-2-methylbenzenesulfonamide
CID 114378979
5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide
CID 107397041
3-bromo-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
CID 107402760
4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107399642
2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide
CID 107397005
3-amino-5-chloro-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 114380201
3-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methylbenzenesulfonamide
CID 114379774
3-amino-5-chloro-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 114379149
3-amino-5-chloro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102631244
2,4-dichloro-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107402761

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide (CID 107396992) is 3-amino-5-chloro-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide is CCN(CC1CCC1)S(=O)(=O)c1cc(Cl)cc(N)c1C.
What is the InChIKey of 3-amino-5-chloro-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide?
The InChIKey is IDIQBXXOOVTICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-3-17(9-11-5-4-6-11)20(18,19)14-8-12(15)7-13(16)10(14)2/h7-8,11H,3-6,9,16H2,1-2H3.
What are the key properties of 3-amino-5-chloro-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide?
3-amino-5-chloro-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 107396992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).