N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]cyclopentanesulfonamide

C16H21NO3S — CID 105361505

IUPACN-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]cyclopentanesulfonamide
SMILESO=S(=O)(NCc1ccc(C#CCCO)cc1)C1CCCC1
InChIInChI=1S/C16H21NO3S/c18-12-4-3-5-14-8-10-15(11-9-14)13-17-21(19,20)16-6-1-2-7-16/h8-11,16-18H,1-2,4,6-7,12-13H2
InChIKeyZTNWQVFUQUBMFA-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.78
Rot. Bonds5

About N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]cyclopentanesulfonamide

N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]cyclopentanesulfonamide (PubChem CID 105361505) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]cyclopentanesulfonamide
PubChem CID105361505
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC NameN-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]cyclopentanesulfonamide
SMILESO=S(=O)(NCc1ccc(C#CCCO)cc1)C1CCCC1
InChIInChI=1S/C16H21NO3S/c18-12-4-3-5-14-8-10-15(11-9-14)13-17-21(19,20)16-6-1-2-7-16/h8-11,16-18H,1-2,4,6-7,12-13H2
InChIKeyZTNWQVFUQUBMFA-UHFFFAOYSA-N
XLogP1.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.78
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

1-cyclopropyl-N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]methanesulfonamide
CID 64989407
4-[4-[(cyclopropylsulfamoylamino)methyl]phenyl]but-3-yn-1-ol
CID 114811799
N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide
CID 61058963
N-[3-(4-fluorophenyl)prop-2-ynyl]cyclohexanesulfonamide
CID 90552796
2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60805116
2-cyclohexyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60803356
N-[[4-(chloromethyl)phenyl]methyl]cyclopropanesulfonamide
CID 107234005
N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]cyclopentanesulfonamide
CID 105361521
N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]cyclopentanesulfonamide
CID 105361499
N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide
CID 105361524
N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide
CID 105361529
N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanesulfonamide
CID 64553499

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]cyclopentanesulfonamide?
The IUPAC name of N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]cyclopentanesulfonamide (CID 105361505) is N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]cyclopentanesulfonamide?
The canonical SMILES for N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]cyclopentanesulfonamide is O=S(=O)(NCc1ccc(C#CCCO)cc1)C1CCCC1.
What is the InChIKey of N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]cyclopentanesulfonamide?
The InChIKey is ZTNWQVFUQUBMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c18-12-4-3-5-14-8-10-15(11-9-14)13-17-21(19,20)16-6-1-2-7-16/h8-11,16-18H,1-2,4,6-7,12-13H2.
What are the key properties of N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]cyclopentanesulfonamide?
N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]cyclopentanesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]cyclopentanesulfonamide is sourced from PubChem (CID 105361505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).