3-amino-5-chloro-N-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide

C15H23ClN2O2S — CID 114378564

IUPAC3-amino-5-chloro-N-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)cc(N)c1C
InChIInChI=1S/C15H23ClN2O2S/c1-3-18(13-7-5-4-6-8-13)21(19,20)15-10-12(16)9-14(17)11(15)2/h9-10,13H,3-8,17H2,1-2H3
InChIKeyIZEWSOLTBWEORL-UHFFFAOYSA-N
MW330.88 g/mol
LogP3.57
Rot. Bonds4

About 3-amino-5-chloro-N-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide

3-amino-5-chloro-N-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide (PubChem CID 114378564) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 3-amino-5-chloro-N-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide
PubChem CID114378564
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name3-amino-5-chloro-N-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)cc(N)c1C
InChIInChI=1S/C15H23ClN2O2S/c1-3-18(13-7-5-4-6-8-13)21(19,20)15-10-12(16)9-14(17)11(15)2/h9-10,13H,3-8,17H2,1-2H3
InChIKeyIZEWSOLTBWEORL-UHFFFAOYSA-N
XLogP3.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 53.57
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-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 62955123
3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide
CID 114380287
3-amino-5-chloro-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
CID 107396992
3-amino-5-chloro-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide
CID 103050502
4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43107717
2,4,5-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 1178561
5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methylbenzenesulfonamide
CID 114625120
5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide
CID 897007
3-amino-4-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43096949
3-amino-5-chloro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102631244
2,3,4-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 50876130
N-cyclohexyl-N-ethyl-2,5-difluorobenzenesulfonamide
CID 60516548

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide (CID 114378564) is 3-amino-5-chloro-N-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide is CCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)cc(N)c1C.
What is the InChIKey of 3-amino-5-chloro-N-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide?
The InChIKey is IZEWSOLTBWEORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-3-18(13-7-5-4-6-8-13)21(19,20)15-10-12(16)9-14(17)11(15)2/h9-10,13H,3-8,17H2,1-2H3.
What are the key properties of 3-amino-5-chloro-N-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide?
3-amino-5-chloro-N-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide has a molecular weight of 330.88 g/mol, XLogP of 3.57, 4 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-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 114378564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).