5-[(1-ethynylcyclopropyl)sulfamoyl]-2-fluorobenzamide

C12H11FN2O3S — CID 169187126

IUPAC5-[(1-ethynylcyclopropyl)sulfamoyl]-2-fluorobenzamide
SMILESC#CC1(NS(=O)(=O)c2ccc(F)c(C(N)=O)c2)CC1
InChIInChI=1S/C12H11FN2O3S/c1-2-12(5-6-12)15-19(17,18)8-3-4-10(13)9(7-8)11(14)16/h1,3-4,7,15H,5-6H2,(H2,14,16)
InChIKeyUAKPFHDRXMDXID-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.37
Rot. Bonds4

About 5-[(1-ethynylcyclopropyl)sulfamoyl]-2-fluorobenzamide

5-[(1-ethynylcyclopropyl)sulfamoyl]-2-fluorobenzamide (PubChem CID 169187126) has the molecular formula C12H11FN2O3S and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-[(1-ethynylcyclopropyl)sulfamoyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[(1-ethynylcyclopropyl)sulfamoyl]-2-fluorobenzamide
PubChem CID169187126
Molecular FormulaC12H11FN2O3S
Molecular Weight282.30 g/mol
Exact Mass282.05
IUPAC Name5-[(1-ethynylcyclopropyl)sulfamoyl]-2-fluorobenzamide
SMILESC#CC1(NS(=O)(=O)c2ccc(F)c(C(N)=O)c2)CC1
InChIInChI=1S/C12H11FN2O3S/c1-2-12(5-6-12)15-19(17,18)8-3-4-10(13)9(7-8)11(14)16/h1,3-4,7,15H,5-6H2,(H2,14,16)
InChIKeyUAKPFHDRXMDXID-UHFFFAOYSA-N
XLogP0.37
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.37
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-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]benzamide
CID 169187237
2-fluoro-5-[(1-methylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 63288656
4-chloro-N-(1-ethynylcyclohexyl)benzenesulfonamide
CID 134103778
1-[(3,4-difluorophenyl)sulfonylamino]cyclohexane-1-carbothioamide
CID 61123074
5-[(3,4-dichlorophenyl)sulfonylamino]-2-fluorobenzamide
CID 39331681
5-[(2,2-dimethylcyclopentyl)sulfamoyl]-2-fluorobenzenecarbothioamide
CID 79871093
2-fluoro-5-[[2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]sulfamoyl]benzamide
CID 71859514
2-[1-[(3-cyano-4-fluorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79844844
2-fluoro-5-(2-pyrrolidin-1-ylethylsulfamoyl)benzenecarbothioamide
CID 63289015
2-fluoro-5-[(4,4,4-trifluoro-3-phenylbutanoyl)sulfamoyl]benzamide
CID 71859517
2-[(3-carbamothioyl-4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide
CID 63288468
2-fluoro-5-hydroxybenzamide
CID 59402772

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethynylcyclopropyl)sulfamoyl]-2-fluorobenzamide?
The IUPAC name of 5-[(1-ethynylcyclopropyl)sulfamoyl]-2-fluorobenzamide (CID 169187126) is 5-[(1-ethynylcyclopropyl)sulfamoyl]-2-fluorobenzamide.
What is the SMILES notation for 5-[(1-ethynylcyclopropyl)sulfamoyl]-2-fluorobenzamide?
The canonical SMILES for 5-[(1-ethynylcyclopropyl)sulfamoyl]-2-fluorobenzamide is C#CC1(NS(=O)(=O)c2ccc(F)c(C(N)=O)c2)CC1.
What is the InChIKey of 5-[(1-ethynylcyclopropyl)sulfamoyl]-2-fluorobenzamide?
The InChIKey is UAKPFHDRXMDXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S/c1-2-12(5-6-12)15-19(17,18)8-3-4-10(13)9(7-8)11(14)16/h1,3-4,7,15H,5-6H2,(H2,14,16).
What are the key properties of 5-[(1-ethynylcyclopropyl)sulfamoyl]-2-fluorobenzamide?
5-[(1-ethynylcyclopropyl)sulfamoyl]-2-fluorobenzamide has a molecular weight of 282.30 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethynylcyclopropyl)sulfamoyl]-2-fluorobenzamide is sourced from PubChem (CID 169187126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).