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

C12H13NO3S — CID 64553499

IUPACN-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanesulfonamide
SMILESO=S(=O)(Nc1ccc(C#CCO)cc1)C1CC1
InChIInChI=1S/C12H13NO3S/c14-9-1-2-10-3-5-11(6-4-10)13-17(15,16)12-7-8-12/h3-6,12-14H,7-9H2
InChIKeyOJSCNDQQTLPHLR-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.93
Rot. Bonds3

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

N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanesulfonamide (PubChem CID 64553499) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanesulfonamide
PubChem CID64553499
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC NameN-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanesulfonamide
SMILESO=S(=O)(Nc1ccc(C#CCO)cc1)C1CC1
InChIInChI=1S/C12H13NO3S/c14-9-1-2-10-3-5-11(6-4-10)13-17(15,16)12-7-8-12/h3-6,12-14H,7-9H2
InChIKeyOJSCNDQQTLPHLR-UHFFFAOYSA-N
XLogP0.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.93
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]cyclohexanesulfonamide
CID 61058963
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]cyclohexanesulfonamide
CID 107579037
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanesulfonamide
CID 105361534
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]cyclohexanesulfonamide
CID 63334192
4-[3-(cyclopropylsulfonylamino)prop-1-ynyl]benzamide
CID 90553482
N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclooctanecarboxamide
CID 65023222
3-[4-(methylamino)phenyl]prop-2-yn-1-ol
CID 22986794
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54937492
2-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 60803962
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 62374305
N-[3-(3-aminoprop-1-ynyl)phenyl]cyclopentanesulfonamide
CID 105361542
N-(4-piperazin-1-ylphenyl)cyclopropanesulfonamide
CID 64554918

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanesulfonamide (CID 64553499) is N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanesulfonamide is O=S(=O)(Nc1ccc(C#CCO)cc1)C1CC1.
What is the InChIKey of N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanesulfonamide?
The InChIKey is OJSCNDQQTLPHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c14-9-1-2-10-3-5-11(6-4-10)13-17(15,16)12-7-8-12/h3-6,12-14H,7-9H2.
What are the key properties of N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanesulfonamide?
N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanesulfonamide has a molecular weight of 251.31 g/mol, XLogP of 0.93, 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]cyclopropanesulfonamide is sourced from PubChem (CID 64553499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).