4-cyclopentyloxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide

C18H27NO4S — CID 110642380

IUPAC4-cyclopentyloxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(CO)CCCC1)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C18H27NO4S/c20-14-18(11-3-4-12-18)13-19-24(21,22)17-9-7-16(8-10-17)23-15-5-1-2-6-15/h7-10,15,19-20H,1-6,11-14H2
InChIKeyMXTMOQHYFDOZIV-UHFFFAOYSA-N
MW353.48 g/mol
LogP2.84
Rot. Bonds7

About 4-cyclopentyloxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide

4-cyclopentyloxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide (PubChem CID 110642380) has the molecular formula C18H27NO4S and a molecular weight of 353.48 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
PubChem CID110642380
Molecular FormulaC18H27NO4S
Molecular Weight353.48 g/mol
Exact Mass353.17
IUPAC Name4-cyclopentyloxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(CO)CCCC1)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C18H27NO4S/c20-14-18(11-3-4-12-18)13-19-24(21,22)17-9-7-16(8-10-17)23-15-5-1-2-6-15/h7-10,15,19-20H,1-6,11-14H2
InChIKeyMXTMOQHYFDOZIV-UHFFFAOYSA-N
XLogP2.84
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.48
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-cyclopentyloxy-N-[[1-(hydroxymethyl)cyclopentyl]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

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
CID 110292626
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110292678
N-[4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]phenyl]acetamide
CID 110642376
N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide
CID 110292661
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 115455389
N-[(4-chlorophenyl)methyl]-4-cyclopentyloxybenzenesulfonamide
CID 113098120
4-cyclopentyloxy-N-[2-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 86808029
4-cyclopentyloxy-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605334
4-cyclopentyloxy-N-(1-phenylcyclobutyl)benzenesulfonamide
CID 113091508
3-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 110642368
4-cyclopentyloxy-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 110408180
N-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
CID 103969990

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide?
The IUPAC name of 4-cyclopentyloxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide (CID 110642380) is 4-cyclopentyloxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-cyclopentyloxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-cyclopentyloxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide is O=S(=O)(NCC1(CO)CCCC1)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of 4-cyclopentyloxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide?
The InChIKey is MXTMOQHYFDOZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4S/c20-14-18(11-3-4-12-18)13-19-24(21,22)17-9-7-16(8-10-17)23-15-5-1-2-6-15/h7-10,15,19-20H,1-6,11-14H2.
What are the key properties of 4-cyclopentyloxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide?
4-cyclopentyloxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide has a molecular weight of 353.48 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide is sourced from PubChem (CID 110642380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).