N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanesulfonamide

C10H10FNO3S — CID 60813247

IUPACN-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C#CCO)cc1F
InChIInChI=1S/C10H10FNO3S/c1-16(14,15)12-10-5-4-8(3-2-6-13)7-9(10)11/h4-5,7,12-13H,6H2,1H3
InChIKeyHELSYJGXDSAIEE-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.54
Rot. Bonds2

About N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanesulfonamide

N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanesulfonamide (PubChem CID 60813247) has the molecular formula C10H10FNO3S and a molecular weight of 243.26 g/mol. Its IUPAC name is N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanesulfonamide
PubChem CID60813247
Molecular FormulaC10H10FNO3S
Molecular Weight243.26 g/mol
Exact Mass243.04
IUPAC NameN-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C#CCO)cc1F
InChIInChI=1S/C10H10FNO3S/c1-16(14,15)12-10-5-4-8(3-2-6-13)7-9(10)11/h4-5,7,12-13H,6H2,1H3
InChIKeyHELSYJGXDSAIEE-UHFFFAOYSA-N
XLogP0.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.54
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-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]benzenesulfonamide
CID 60813246
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[2-(methanesulfonamido)ethyl]benzamide
CID 60821598
1,1-difluoro-N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]methanesulfonamide
CID 54922688
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanecarboxamide
CID 60803979
4-(3-aminoprop-1-ynyl)-1-(dimethylsulfamoylamino)-2-fluorobenzene
CID 60813948
4-[3-fluoro-4-(2-methylpropylsulfamoylamino)phenyl]but-3-yn-1-ol
CID 114816399
2-acetamido-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 54922713
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzamide
CID 60804157
N-(2-fluoro-4-hydroxyphenyl)methanesulfonamide
CID 64786305
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propan-2-ylbenzenesulfonamide
CID 116528902
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide
CID 60802780
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide
CID 60802437

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanesulfonamide (CID 60813247) is N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C#CCO)cc1F.
What is the InChIKey of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanesulfonamide?
The InChIKey is HELSYJGXDSAIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3S/c1-16(14,15)12-10-5-4-8(3-2-6-13)7-9(10)11/h4-5,7,12-13H,6H2,1H3.
What are the key properties of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanesulfonamide?
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanesulfonamide has a molecular weight of 243.26 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanesulfonamide is sourced from PubChem (CID 60813247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).