N-(4-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide

C15H12FNO3S — CID 60823376

IUPACN-(4-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccccc1C#CCO
InChIInChI=1S/C15H12FNO3S/c16-13-7-9-14(10-8-13)17-21(19,20)15-6-2-1-4-12(15)5-3-11-18/h1-2,4,6-10,17-18H,11H2
InChIKeyCBLSOWPDTPLPCZ-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.97
Rot. Bonds3

About N-(4-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide

N-(4-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide (PubChem CID 60823376) has the molecular formula C15H12FNO3S and a molecular weight of 305.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
PubChem CID60823376
Molecular FormulaC15H12FNO3S
Molecular Weight305.33 g/mol
Exact Mass305.05
IUPAC NameN-(4-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccccc1C#CCO
InChIInChI=1S/C15H12FNO3S/c16-13-7-9-14(10-8-13)17-21(19,20)15-6-2-1-4-12(15)5-3-11-18/h1-2,4,6-10,17-18H,11H2
InChIKeyCBLSOWPDTPLPCZ-UHFFFAOYSA-N
XLogP1.97
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.97
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

2-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)benzenesulfonamide
CID 60845512
N-(4-fluorophenyl)-2-hydroxybenzenesulfonamide
CID 80503785
2-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide
CID 83023747
N-(4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60823219
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 60844745
N-(2,2-dimethylpropyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 61168671
2-(3-hydroxyprop-1-ynyl)-N-(2-sulfamoylethyl)benzenesulfonamide
CID 60844580
8-cyano-N-(4-fluorophenyl)naphthalene-1-sulfonamide
CID 629814
2-(3-hydroxyprop-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60822919
2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 60824289
2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63963966
4-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]butanamide
CID 60863085

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide (CID 60823376) is N-(4-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1)c1ccccc1C#CCO.
What is the InChIKey of N-(4-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
The InChIKey is CBLSOWPDTPLPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3S/c16-13-7-9-14(10-8-13)17-21(19,20)15-6-2-1-4-12(15)5-3-11-18/h1-2,4,6-10,17-18H,11H2.
What are the key properties of N-(4-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
N-(4-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide has a molecular weight of 305.33 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide is sourced from PubChem (CID 60823376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).