N-(3-cyano-4-fluorophenyl)propane-2-sulfonamide

C10H11FN2O2S — CID 62317570

IUPACN-(3-cyano-4-fluorophenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C10H11FN2O2S/c1-7(2)16(14,15)13-9-3-4-10(11)8(5-9)6-12/h3-5,7,13H,1-2H3
InChIKeyFAGGXXDQDVPOFL-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.85
Rot. Bonds3

About N-(3-cyano-4-fluorophenyl)propane-2-sulfonamide

N-(3-cyano-4-fluorophenyl)propane-2-sulfonamide (PubChem CID 62317570) has the molecular formula C10H11FN2O2S and a molecular weight of 242.27 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)propane-2-sulfonamide
PubChem CID62317570
Molecular FormulaC10H11FN2O2S
Molecular Weight242.27 g/mol
Exact Mass242.05
IUPAC NameN-(3-cyano-4-fluorophenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C10H11FN2O2S/c1-7(2)16(14,15)13-9-3-4-10(11)8(5-9)6-12/h3-5,7,13H,1-2H3
InChIKeyFAGGXXDQDVPOFL-UHFFFAOYSA-N
XLogP1.85
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyano-4-fluorophenyl)-1,1-difluoromethanesulfonamide
CID 62315969
1-bromo-N-(3-cyano-4-fluorophenyl)methanesulfonamide
CID 83093556
N-(3-fluoro-4-hydroxyphenyl)propane-2-sulfonamide
CID 64781842
N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 62317386
2-fluoro-5-(2-methylpropylamino)benzonitrile
CID 62316780
5-(2-ethylsulfonylethylamino)-2-fluorobenzonitrile
CID 62316635
N-(3-cyano-4-fluorophenyl)-2-(methylamino)benzenesulfonamide
CID 62317403
5-bromo-N-(3-cyano-4-fluorophenyl)-2-methylbenzenesulfonamide
CID 62316181
4-amino-N-(3-cyano-4-fluorophenyl)-3-fluorobenzenesulfonamide
CID 82845927
N-(3-cyano-4-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 62373465
5-bromo-N-(3-cyano-4-fluorophenyl)thiophene-2-sulfonamide
CID 62317032
propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate
CID 62316495

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)propane-2-sulfonamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)propane-2-sulfonamide (CID 62317570) is N-(3-cyano-4-fluorophenyl)propane-2-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)propane-2-sulfonamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1ccc(F)c(C#N)c1.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)propane-2-sulfonamide?
The InChIKey is FAGGXXDQDVPOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2S/c1-7(2)16(14,15)13-9-3-4-10(11)8(5-9)6-12/h3-5,7,13H,1-2H3.
What are the key properties of N-(3-cyano-4-fluorophenyl)propane-2-sulfonamide?
N-(3-cyano-4-fluorophenyl)propane-2-sulfonamide has a molecular weight of 242.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)propane-2-sulfonamide is sourced from PubChem (CID 62317570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).