4-(cyclopentylmethoxy)-3-methylbenzenesulfonamide

C13H19NO3S — CID 61344661

IUPAC4-(cyclopentylmethoxy)-3-methylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)ccc1OCC1CCCC1
InChIInChI=1S/C13H19NO3S/c1-10-8-12(18(14,15)16)6-7-13(10)17-9-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H2,14,15,16)
InChIKeyQESUTPSEJCHWIT-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.21
Rot. Bonds4

About 4-(cyclopentylmethoxy)-3-methylbenzenesulfonamide

4-(cyclopentylmethoxy)-3-methylbenzenesulfonamide (PubChem CID 61344661) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-(cyclopentylmethoxy)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(cyclopentylmethoxy)-3-methylbenzenesulfonamide
PubChem CID61344661
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name4-(cyclopentylmethoxy)-3-methylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)ccc1OCC1CCCC1
InChIInChI=1S/C13H19NO3S/c1-10-8-12(18(14,15)16)6-7-13(10)17-9-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H2,14,15,16)
InChIKeyQESUTPSEJCHWIT-UHFFFAOYSA-N
XLogP2.21
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(cyclopentylmethoxy)-3-methylbenzenesulfonamide 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

4-(cyclobutylmethoxy)-3-methylbenzenesulfonamide
CID 65459454
4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide
CID 43164449
3-methyl-4-prop-2-enoxybenzenesulfonamide
CID 82921078
4-butoxy-3-methylbenzenesulfonamide
CID 43164510
3-methyl-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide
CID 82921881
4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene
CID 127017270
3-(cyclohexylmethylamino)-4-methylbenzenesulfonamide
CID 43744206
1-(cyclopentylmethoxy)-2-methylbenzene
CID 59117156
3-methyl-4-(4-methylpentoxy)benzenesulfonamide
CID 83158353
1-(cyclohexylmethoxy)-4-ethynyl-2-methylbenzene
CID 138962091
cyclopropylmethyl 2-ethoxy-5-sulfamoylbenzoate
CID 65380431
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(2-methyl-4-sulfamoylphenoxy)acetamide
CID 110164108

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethoxy)-3-methylbenzenesulfonamide?
The IUPAC name of 4-(cyclopentylmethoxy)-3-methylbenzenesulfonamide (CID 61344661) is 4-(cyclopentylmethoxy)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-(cyclopentylmethoxy)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-(cyclopentylmethoxy)-3-methylbenzenesulfonamide is Cc1cc(S(N)(=O)=O)ccc1OCC1CCCC1.
What is the InChIKey of 4-(cyclopentylmethoxy)-3-methylbenzenesulfonamide?
The InChIKey is QESUTPSEJCHWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10-8-12(18(14,15)16)6-7-13(10)17-9-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H2,14,15,16).
What are the key properties of 4-(cyclopentylmethoxy)-3-methylbenzenesulfonamide?
4-(cyclopentylmethoxy)-3-methylbenzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethoxy)-3-methylbenzenesulfonamide is sourced from PubChem (CID 61344661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).