N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide

C15H19NO3S — CID 61058963

IUPACN-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide
SMILESO=S(=O)(Nc1ccc(C#CCO)cc1)C1CCCCC1
InChIInChI=1S/C15H19NO3S/c17-12-4-5-13-8-10-14(11-9-13)16-20(18,19)15-6-2-1-3-7-15/h8-11,15-17H,1-3,6-7,12H2
InChIKeyZBFAKZLCIBQTLN-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.10
Rot. Bonds3

About N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide

N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide (PubChem CID 61058963) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide
PubChem CID61058963
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC NameN-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide
SMILESO=S(=O)(Nc1ccc(C#CCO)cc1)C1CCCCC1
InChIInChI=1S/C15H19NO3S/c17-12-4-5-13-8-10-14(11-9-13)16-20(18,19)15-6-2-1-3-7-15/h8-11,15-17H,1-3,6-7,12H2
InChIKeyZBFAKZLCIBQTLN-UHFFFAOYSA-N
XLogP2.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.10
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-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanesulfonamide
CID 64553499
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]cyclohexanesulfonamide
CID 107579037
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]cyclohexanesulfonamide
CID 63334192
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanesulfonamide
CID 105361534
N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclooctanecarboxamide
CID 65023222
N-[4-(methylamino)phenyl]cyclohexanesulfonamide
CID 61064598
2-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 60803962
N-[3-(3-aminoprop-1-ynyl)phenyl]cyclopentanesulfonamide
CID 105361542
N-[3-(4-fluorophenyl)prop-2-ynyl]cyclohexanesulfonamide
CID 90552796
N-[4-(cyanomethoxy)phenyl]cyclopentanesulfonamide
CID 115606497
N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]cyclopentanesulfonamide
CID 105361505
N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]cyclopentanesulfonamide
CID 105361521

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide?
The IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide (CID 61058963) is N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide?
The canonical SMILES for N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide is O=S(=O)(Nc1ccc(C#CCO)cc1)C1CCCCC1.
What is the InChIKey of N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide?
The InChIKey is ZBFAKZLCIBQTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c17-12-4-5-13-8-10-14(11-9-13)16-20(18,19)15-6-2-1-3-7-15/h8-11,15-17H,1-3,6-7,12H2.
What are the key properties of N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide?
N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide is sourced from PubChem (CID 61058963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).