2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide

C16H26N2O2S — CID 62156688

IUPAC2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide
SMILESCCCC1CCC(NS(=O)(=O)c2ccccc2NC)CC1
InChIInChI=1S/C16H26N2O2S/c1-3-6-13-9-11-14(12-10-13)18-21(19,20)16-8-5-4-7-15(16)17-2/h4-5,7-8,13-14,17-18H,3,6,9-12H2,1-2H3
InChIKeyMUCJZRYGTIYLHE-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.37
Rot. Bonds6

About 2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide

2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide (PubChem CID 62156688) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide
PubChem CID62156688
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide
SMILESCCCC1CCC(NS(=O)(=O)c2ccccc2NC)CC1
InChIInChI=1S/C16H26N2O2S/c1-3-6-13-9-11-14(12-10-13)18-21(19,20)16-8-5-4-7-15(16)17-2/h4-5,7-8,13-14,17-18H,3,6,9-12H2,1-2H3
InChIKeyMUCJZRYGTIYLHE-UHFFFAOYSA-N
XLogP3.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
CID 103462650
N-cyclopropyl-2-(pentylamino)benzenesulfonamide
CID 43454657
2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide
CID 63420566
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
N-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide
CID 43454668
N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83142432
N-[(4-ethylcyclohexyl)methyl]-2-(methylamino)benzenesulfonamide
CID 62152226
N-cyclohexyl-2-(propylamino)benzenesulfonamide
CID 62149807
N-(2-methylsulfonylphenyl)-4-propylcycloheptan-1-amine
CID 65086579
N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500228
2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 43749872
N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide
CID 62663053

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide?
The IUPAC name of 2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide (CID 62156688) is 2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide is CCCC1CCC(NS(=O)(=O)c2ccccc2NC)CC1.
What is the InChIKey of 2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide?
The InChIKey is MUCJZRYGTIYLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-6-13-9-11-14(12-10-13)18-21(19,20)16-8-5-4-7-15(16)17-2/h4-5,7-8,13-14,17-18H,3,6,9-12H2,1-2H3.
What are the key properties of 2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide?
2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 62156688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).