N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]cyclopentanesulfonamide

C16H21NO3S — CID 105361521

IUPACN-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]cyclopentanesulfonamide
SMILESCc1ccc(NS(=O)(=O)C2CCCC2)cc1C#CCCO
InChIInChI=1S/C16H21NO3S/c1-13-9-10-15(12-14(13)6-4-5-11-18)17-21(19,20)16-7-2-3-8-16/h9-10,12,16-18H,2-3,5,7-8,11H2,1H3
InChIKeyJWKBJFPSODVKGX-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.41
Rot. Bonds4

About N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]cyclopentanesulfonamide

N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]cyclopentanesulfonamide (PubChem CID 105361521) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]cyclopentanesulfonamide
PubChem CID105361521
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC NameN-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]cyclopentanesulfonamide
SMILESCc1ccc(NS(=O)(=O)C2CCCC2)cc1C#CCCO
InChIInChI=1S/C16H21NO3S/c1-13-9-10-15(12-14(13)6-4-5-11-18)17-21(19,20)16-7-2-3-8-16/h9-10,12,16-18H,2-3,5,7-8,11H2,1H3
InChIKeyJWKBJFPSODVKGX-UHFFFAOYSA-N
XLogP2.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]cyclohexanesulfonamide
CID 63334192
N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]cyclopentanesulfonamide
CID 105361499
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylpropane-2-sulfonamide
CID 63687336
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propane-1-sulfonamide
CID 63333882
N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]oxane-3-carboxamide
CID 63333873
N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide
CID 61058963
ethyl N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]carbamate
CID 55201745
ethyl 2-[[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]sulfamoyl]acetate
CID 63334333
N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-methylsulfanylpropanamide
CID 55201169
N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]ethanesulfonamide
CID 104780935
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]cyclohexanesulfonamide
CID 107579037
3-[2-methyl-5-(2-methylpropylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114816451

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]cyclopentanesulfonamide?
The IUPAC name of N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]cyclopentanesulfonamide (CID 105361521) is N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]cyclopentanesulfonamide?
The canonical SMILES for N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]cyclopentanesulfonamide is Cc1ccc(NS(=O)(=O)C2CCCC2)cc1C#CCCO.
What is the InChIKey of N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]cyclopentanesulfonamide?
The InChIKey is JWKBJFPSODVKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-13-9-10-15(12-14(13)6-4-5-11-18)17-21(19,20)16-7-2-3-8-16/h9-10,12,16-18H,2-3,5,7-8,11H2,1H3.
What are the key properties of N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]cyclopentanesulfonamide?
N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]cyclopentanesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]cyclopentanesulfonamide is sourced from PubChem (CID 105361521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).