N-(2-fluorophenyl)propane-1-sulfonamide

C9H12FNO2S — CID 60640812

IUPACN-(2-fluorophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C9H12FNO2S/c1-2-7-14(12,13)11-9-6-4-3-5-8(9)10/h3-6,11H,2,7H2,1H3
InChIKeyOHAWXAXSGPQHIZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.98
Rot. Bonds4

About N-(2-fluorophenyl)propane-1-sulfonamide

N-(2-fluorophenyl)propane-1-sulfonamide (PubChem CID 60640812) has the molecular formula C9H12FNO2S and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(2-fluorophenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)propane-1-sulfonamide
PubChem CID60640812
Molecular FormulaC9H12FNO2S
Molecular Weight217.27 g/mol
Exact Mass217.06
IUPAC NameN-(2-fluorophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C9H12FNO2S/c1-2-7-14(12,13)11-9-6-4-3-5-8(9)10/h3-6,11H,2,7H2,1H3
InChIKeyOHAWXAXSGPQHIZ-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-difluorophenyl)propane-1-sulfonamide
CID 60640758
N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide
CID 60640735
N-[2-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 60640821
N-(2-fluoro-5-methylphenyl)propane-1-sulfonamide
CID 60641408
N-[4-(2-fluoroanilino)phenyl]butane-1-sulfonamide
CID 112986795
N-(2-fluorophenyl)-1-phenylmethanesulfonamide
CID 669256
N-(2,3-difluorophenyl)ethanesulfonamide
CID 64586893
N-(2-ethoxyphenyl)propane-1-sulfonamide
CID 60641405
N-(2-fluorophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide
CID 94692974
N-[2-(2-aminoethoxy)phenyl]propane-1-sulfonamide
CID 43175615
N-(3-fluoro-2-methylphenyl)-3-(propylamino)propane-1-sulfonamide
CID 106018387
N-[2-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 113093433

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)propane-1-sulfonamide?
The IUPAC name of N-(2-fluorophenyl)propane-1-sulfonamide (CID 60640812) is N-(2-fluorophenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-fluorophenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)propane-1-sulfonamide?
The InChIKey is OHAWXAXSGPQHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-2-7-14(12,13)11-9-6-4-3-5-8(9)10/h3-6,11H,2,7H2,1H3.
What are the key properties of N-(2-fluorophenyl)propane-1-sulfonamide?
N-(2-fluorophenyl)propane-1-sulfonamide has a molecular weight of 217.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)propane-1-sulfonamide is sourced from PubChem (CID 60640812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).