3-(1-hydroxypropyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide

C16H25NO3S — CID 107414903

IUPAC3-(1-hydroxypropyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCCC(O)c1cccc(S(=O)(=O)NCC2CCC(C)C2)c1
InChIInChI=1S/C16H25NO3S/c1-3-16(18)14-5-4-6-15(10-14)21(19,20)17-11-13-8-7-12(2)9-13/h4-6,10,12-13,16-18H,3,7-9,11H2,1-2H3
InChIKeyXCTVNMTVFYSWQI-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.84
Rot. Bonds6

About 3-(1-hydroxypropyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide

3-(1-hydroxypropyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide (PubChem CID 107414903) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-(1-hydroxypropyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(1-hydroxypropyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
PubChem CID107414903
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name3-(1-hydroxypropyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCCC(O)c1cccc(S(=O)(=O)NCC2CCC(C)C2)c1
InChIInChI=1S/C16H25NO3S/c1-3-16(18)14-5-4-6-15(10-14)21(19,20)17-11-13-8-7-12(2)9-13/h4-6,10,12-13,16-18H,3,7-9,11H2,1-2H3
InChIKeyXCTVNMTVFYSWQI-UHFFFAOYSA-N
XLogP2.84
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1-hydroxypropyl)-N-[(3-methylcyclopentyl)methyl]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

3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60874374
3-(1-hydroxypropyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 60874373
3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 60874157
N-(cyclopropylmethyl)-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 43506800
3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide
CID 60874171
3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411156
N-(cyclopropylmethyl)-3-(1-hydroxypropyl)-N-propylbenzenesulfonamide
CID 61444156
3-(1-hydroxypropyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79360006
3-(1-hydroxypropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104764772
3-amino-4-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411115
3-(1-hydroxypropyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63858508
N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 43507135

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypropyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 3-(1-hydroxypropyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide (CID 107414903) is 3-(1-hydroxypropyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-(1-hydroxypropyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-(1-hydroxypropyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide is CCC(O)c1cccc(S(=O)(=O)NCC2CCC(C)C2)c1.
What is the InChIKey of 3-(1-hydroxypropyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The InChIKey is XCTVNMTVFYSWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-3-16(18)14-5-4-6-15(10-14)21(19,20)17-11-13-8-7-12(2)9-13/h4-6,10,12-13,16-18H,3,7-9,11H2,1-2H3.
What are the key properties of 3-(1-hydroxypropyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
3-(1-hydroxypropyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypropyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 107414903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).