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

C15H23ClN2O2S — CID 63402365

IUPAC2-amino-4-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
SMILESCCC1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2N)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-3-11-4-7-13(8-5-11)18(2)21(19,20)15-9-6-12(16)10-14(15)17/h6,9-11,13H,3-5,7-8,17H2,1-2H3
InChIKeyKNFIBMZQDKEVKP-UHFFFAOYSA-N
MW330.88 g/mol
LogP3.51
Rot. Bonds4

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

2-amino-4-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide (PubChem CID 63402365) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
PubChem CID63402365
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name2-amino-4-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
SMILESCCC1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2N)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-3-11-4-7-13(8-5-11)18(2)21(19,20)15-9-6-12(16)10-14(15)17/h6,9-11,13H,3-5,7-8,17H2,1-2H3
InChIKeyKNFIBMZQDKEVKP-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide (CID 63402365) is 2-amino-4-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide is CCC1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2N)CC1.
What is the InChIKey of 2-amino-4-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide?
The InChIKey is KNFIBMZQDKEVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-3-11-4-7-13(8-5-11)18(2)21(19,20)15-9-6-12(16)10-14(15)17/h6,9-11,13H,3-5,7-8,17H2,1-2H3.
What are the key properties of 2-amino-4-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide?
2-amino-4-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 2-amino-4-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 63402365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).