N-[(4-ethylcyclohexyl)methyl]-2-(methylamino)benzenesulfonamide

C16H26N2O2S — CID 62152226

IUPACN-[(4-ethylcyclohexyl)methyl]-2-(methylamino)benzenesulfonamide
SMILESCCC1CCC(CNS(=O)(=O)c2ccccc2NC)CC1
InChIInChI=1S/C16H26N2O2S/c1-3-13-8-10-14(11-9-13)12-18-21(19,20)16-7-5-4-6-15(16)17-2/h4-7,13-14,17-18H,3,8-12H2,1-2H3
InChIKeyMSRDLOFJVHFQFZ-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.22
Rot. Bonds6

About N-[(4-ethylcyclohexyl)methyl]-2-(methylamino)benzenesulfonamide

N-[(4-ethylcyclohexyl)methyl]-2-(methylamino)benzenesulfonamide (PubChem CID 62152226) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-2-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-2-(methylamino)benzenesulfonamide
PubChem CID62152226
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-2-(methylamino)benzenesulfonamide
SMILESCCC1CCC(CNS(=O)(=O)c2ccccc2NC)CC1
InChIInChI=1S/C16H26N2O2S/c1-3-13-8-10-14(11-9-13)12-18-21(19,20)16-7-5-4-6-15(16)17-2/h4-7,13-14,17-18H,3,8-12H2,1-2H3
InChIKeyMSRDLOFJVHFQFZ-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4-ethylcyclohexyl)methyl]-2-(methylamino)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-ethylcyclohexyl)methylamino]-N-methylbenzenesulfonamide
CID 60972017
2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 62159127
2-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 62158541
2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 43749872
N-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide
CID 62146052
N-(cyclohexylmethyl)-2-hydrazinylbenzenesulfonamide
CID 43455192
2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide
CID 62156688
2-(ethylamino)-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 55119396
2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 62145800
N-[(4-ethylcyclohexyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62152225
2-(cyclopropylmethylamino)-N-[2-(ethylsulfamoyl)phenyl]acetamide
CID 60866551
2-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106012613

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2-(methylamino)benzenesulfonamide?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2-(methylamino)benzenesulfonamide (CID 62152226) is N-[(4-ethylcyclohexyl)methyl]-2-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-2-(methylamino)benzenesulfonamide?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-2-(methylamino)benzenesulfonamide is CCC1CCC(CNS(=O)(=O)c2ccccc2NC)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-2-(methylamino)benzenesulfonamide?
The InChIKey is MSRDLOFJVHFQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-13-8-10-14(11-9-13)12-18-21(19,20)16-7-5-4-6-15(16)17-2/h4-7,13-14,17-18H,3,8-12H2,1-2H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-2-(methylamino)benzenesulfonamide?
N-[(4-ethylcyclohexyl)methyl]-2-(methylamino)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-2-(methylamino)benzenesulfonamide is sourced from PubChem (CID 62152226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).