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

C15H12FNO3S — CID 60823219

IUPACN-(4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1cccc(C#CCO)c1
InChIInChI=1S/C15H12FNO3S/c16-13-6-8-14(9-7-13)17-21(19,20)15-5-1-3-12(11-15)4-2-10-18/h1,3,5-9,11,17-18H,10H2
InChIKeyDHDUXLIHJFQHRU-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.97
Rot. Bonds3

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

N-(4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide (PubChem CID 60823219) has the molecular formula C15H12FNO3S and a molecular weight of 305.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide
PubChem CID60823219
Molecular FormulaC15H12FNO3S
Molecular Weight305.33 g/mol
Exact Mass305.05
IUPAC NameN-(4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1cccc(C#CCO)c1
InChIInChI=1S/C15H12FNO3S/c16-13-6-8-14(9-7-13)17-21(19,20)15-5-1-3-12(11-15)4-2-10-18/h1,3,5-9,11,17-18H,10H2
InChIKeyDHDUXLIHJFQHRU-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

3-(3-hydroxyprop-1-ynyl)-N-pyridin-3-ylbenzenesulfonamide
CID 60823189
3-(3-aminoprop-1-ynyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 60844800
3-(3-hydroxyprop-1-ynyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 60823229
N-(4-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60823376
N-(2,3-dimethylbutyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 64598282
3-(3-hydroxyprop-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 60824132
3-(3-hydroxyprop-1-ynyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 60823010
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]benzenesulfonamide
CID 60813246
3-(3-hydroxyprop-1-ynyl)-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 115521833
2-[[3-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]ethylurea
CID 83115510
4-fluoro-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide
CID 1472868
3-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-yn-1-ol
CID 60824409

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide (CID 60823219) is N-(4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1)c1cccc(C#CCO)c1.
What is the InChIKey of N-(4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
The InChIKey is DHDUXLIHJFQHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3S/c16-13-6-8-14(9-7-13)17-21(19,20)15-5-1-3-12(11-15)4-2-10-18/h1,3,5-9,11,17-18H,10H2.
What are the key properties of N-(4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
N-(4-fluorophenyl)-3-(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)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide is sourced from PubChem (CID 60823219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).