N-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide

C16H26N2O2S — CID 62146052

IUPACN-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide
SMILESCCCNc1ccccc1S(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C16H26N2O2S/c1-2-12-17-15-10-6-7-11-16(15)21(19,20)18-13-14-8-4-3-5-9-14/h6-7,10-11,14,17-18H,2-5,8-9,12-13H2,1H3
InChIKeyZFULTHUCNUVZIA-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.37
Rot. Bonds7

About N-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide

N-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide (PubChem CID 62146052) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide
PubChem CID62146052
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide
SMILESCCCNc1ccccc1S(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C16H26N2O2S/c1-2-12-17-15-10-6-7-11-16(15)21(19,20)18-13-14-8-4-3-5-9-14/h6-7,10-11,14,17-18H,2-5,8-9,12-13H2,1H3
InChIKeyZFULTHUCNUVZIA-UHFFFAOYSA-N
XLogP3.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-(cyclohexylmethyl)-2-hydrazinylbenzenesulfonamide
CID 43455192
N-cyclohexyl-2-(propylamino)benzenesulfonamide
CID 62149807
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62145695
N-[(4-ethylcyclohexyl)methyl]-2-(methylamino)benzenesulfonamide
CID 62152226
2-(ethylamino)-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 55119396
2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide
CID 62359065
N-[5-(cyclohexylmethylsulfamoyl)naphthalen-1-yl]acetamide
CID 69047545
2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 62145800
N-(cyclobutylmethyl)-2-propylsulfonylaniline
CID 43383343
2-cyano-N-(cyclopentylmethyl)benzenesulfonamide
CID 43317177
2-(oxolan-3-ylamino)-N-propylbenzenesulfonamide
CID 80713071
2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 62159127

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide (CID 62146052) is N-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide is CCCNc1ccccc1S(=O)(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide?
The InChIKey is ZFULTHUCNUVZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-2-12-17-15-10-6-7-11-16(15)21(19,20)18-13-14-8-4-3-5-9-14/h6-7,10-11,14,17-18H,2-5,8-9,12-13H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide?
N-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide is sourced from PubChem (CID 62146052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).