3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide

C15H24N2O2S — CID 43257349

IUPAC3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1N
InChIInChI=1S/C15H24N2O2S/c1-3-12-9-10-14(11-15(12)16)20(18,19)17(2)13-7-5-4-6-8-13/h9-11,13H,3-8,16H2,1-2H3
InChIKeyXOMZVBWGWCSROT-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.78
Rot. Bonds4

About 3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide

3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide (PubChem CID 43257349) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide
PubChem CID43257349
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1N
InChIInChI=1S/C15H24N2O2S/c1-3-12-9-10-14(11-15(12)16)20(18,19)17(2)13-7-5-4-6-8-13/h9-11,13H,3-8,16H2,1-2H3
InChIKeyXOMZVBWGWCSROT-UHFFFAOYSA-N
XLogP2.78
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.78
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-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide
CID 62860940
3-amino-N-cyclopentyl-4-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140381
5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide
CID 43266863
3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43264640
3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide
CID 43258911
3-amino-4-ethyl-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 43257148
3-amino-4-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43096949
3-amino-N-(4-ethylcyclohexyl)-4-hydroxy-N-methylbenzenesulfonamide
CID 61125446
N-cyclohexyl-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 892144
4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide
CID 42997513
N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2142659
4-(1-aminoethyl)-N-cyclohexyl-N-methylbenzenesulfonamide
CID 43110382

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide (CID 43257349) is 3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide is CCc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1N.
What is the InChIKey of 3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide?
The InChIKey is XOMZVBWGWCSROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-12-9-10-14(11-15(12)16)20(18,19)17(2)13-7-5-4-6-8-13/h9-11,13H,3-8,16H2,1-2H3.
What are the key properties of 3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide?
3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 43257349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).