5-amino-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide

C15H23ClN2O2S — CID 61125255

IUPAC5-amino-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
SMILESCCC1CCC(N(C)S(=O)(=O)c2cc(N)ccc2Cl)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-3-11-4-7-13(8-5-11)18(2)21(19,20)15-10-12(17)6-9-14(15)16/h6,9-11,13H,3-5,7-8,17H2,1-2H3
InChIKeyRCMMRRRPWRUKDG-UHFFFAOYSA-N
MW330.88 g/mol
LogP3.51
Rot. Bonds4

About 5-amino-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide

5-amino-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide (PubChem CID 61125255) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
PubChem CID61125255
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name5-amino-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
SMILESCCC1CCC(N(C)S(=O)(=O)c2cc(N)ccc2Cl)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-3-11-4-7-13(8-5-11)18(2)21(19,20)15-10-12(17)6-9-14(15)16/h6,9-11,13H,3-5,7-8,17H2,1-2H3
InChIKeyRCMMRRRPWRUKDG-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
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

5-amino-2-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzenesulfonamide
CID 43576335
2-amino-4-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
CID 63402365
4-bromo-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
CID 63420302
4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266881
5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide
CID 43266863
5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide
CID 29290326
5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60892304
2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 110726799
2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118129
3-amino-N-(4-ethylcyclohexyl)-4-hydroxy-N-methylbenzenesulfonamide
CID 61125446
N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089103
3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43264640

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide (CID 61125255) is 5-amino-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide is CCC1CCC(N(C)S(=O)(=O)c2cc(N)ccc2Cl)CC1.
What is the InChIKey of 5-amino-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide?
The InChIKey is RCMMRRRPWRUKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-3-11-4-7-13(8-5-11)18(2)21(19,20)15-10-12(17)6-9-14(15)16/h6,9-11,13H,3-5,7-8,17H2,1-2H3.
What are the key properties of 5-amino-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide?
5-amino-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide has a molecular weight of 330.88 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 61125255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).