1-cyclopentylsulfonyl-4-pentylbenzene

C16H24O2S — CID 173140440

IUPAC1-cyclopentylsulfonyl-4-pentylbenzene
SMILESCCCCCc1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C16H24O2S/c1-2-3-4-7-14-10-12-16(13-11-14)19(17,18)15-8-5-6-9-15/h10-13,15H,2-9H2,1H3
InChIKeyGJYBRROBXGAFRW-UHFFFAOYSA-N
MW280.43 g/mol
LogP4.14
Rot. Bonds6

About 1-cyclopentylsulfonyl-4-pentylbenzene

1-cyclopentylsulfonyl-4-pentylbenzene (PubChem CID 173140440) has the molecular formula C16H24O2S and a molecular weight of 280.43 g/mol. Its IUPAC name is 1-cyclopentylsulfonyl-4-pentylbenzene.

Molecular Properties

Compound Name1-cyclopentylsulfonyl-4-pentylbenzene
PubChem CID173140440
Molecular FormulaC16H24O2S
Molecular Weight280.43 g/mol
Exact Mass280.15
IUPAC Name1-cyclopentylsulfonyl-4-pentylbenzene
SMILESCCCCCc1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C16H24O2S/c1-2-3-4-7-14-10-12-16(13-11-14)19(17,18)15-8-5-6-9-15/h10-13,15H,2-9H2,1H3
InChIKeyGJYBRROBXGAFRW-UHFFFAOYSA-N
XLogP4.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-cyclopentylsulfonyl-4-pentylbenzene 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-[2-(4-cyclopentylsulfonylphenyl)ethyl]ethanesulfonamide
CID 110790741
2-methyl-1-(4-pentylphenyl)sulfonylpiperidine
CID 3419634
potassium 4-pentylbenzenesulfonate
CID 23687480
4-nonylbenzenesulfonate
CID 15764481
4-icosylbenzenesulfonate
CID 59513322
N-[2-(4-cyclopentylsulfonylphenyl)ethyl]-2-methylpropanamide
CID 110790732
potassium 4-tetratriacontylbenzenesulfonate
CID 101306457
calcium bis(4-nonatriacontylbenzenesulfonate)
CID 101306547
azanium 4-tridecylbenzenesulfonate
CID 22833410
4-octatriacontylbenzenesulfonic acid
CID 101306527
sodium 4-pentatetracontylbenzenesulfonate
CID 101306653
barium(2+);bis(4-pentacosylbenzenesulfonate)
CID 101306304

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfonyl-4-pentylbenzene?
The IUPAC name of 1-cyclopentylsulfonyl-4-pentylbenzene (CID 173140440) is 1-cyclopentylsulfonyl-4-pentylbenzene.
What is the SMILES notation for 1-cyclopentylsulfonyl-4-pentylbenzene?
The canonical SMILES for 1-cyclopentylsulfonyl-4-pentylbenzene is CCCCCc1ccc(S(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of 1-cyclopentylsulfonyl-4-pentylbenzene?
The InChIKey is GJYBRROBXGAFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2S/c1-2-3-4-7-14-10-12-16(13-11-14)19(17,18)15-8-5-6-9-15/h10-13,15H,2-9H2,1H3.
What are the key properties of 1-cyclopentylsulfonyl-4-pentylbenzene?
1-cyclopentylsulfonyl-4-pentylbenzene has a molecular weight of 280.43 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfonyl-4-pentylbenzene is sourced from PubChem (CID 173140440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).