2-(cyanomethyl)-5-fluoro-N,N-dimethylbenzenesulfonamide

C10H11FN2O2S — CID 58126992

IUPAC2-(cyanomethyl)-5-fluoro-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(F)ccc1CC#N
InChIInChI=1S/C10H11FN2O2S/c1-13(2)16(14,15)10-7-9(11)4-3-8(10)5-6-12/h3-4,7H,5H2,1-2H3
InChIKeyHLQVZHNALYETGB-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.14
Rot. Bonds3

About 2-(cyanomethyl)-5-fluoro-N,N-dimethylbenzenesulfonamide

2-(cyanomethyl)-5-fluoro-N,N-dimethylbenzenesulfonamide (PubChem CID 58126992) has the molecular formula C10H11FN2O2S and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(cyanomethyl)-5-fluoro-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(cyanomethyl)-5-fluoro-N,N-dimethylbenzenesulfonamide
PubChem CID58126992
Molecular FormulaC10H11FN2O2S
Molecular Weight242.27 g/mol
Exact Mass242.05
IUPAC Name2-(cyanomethyl)-5-fluoro-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(F)ccc1CC#N
InChIInChI=1S/C10H11FN2O2S/c1-13(2)16(14,15)10-7-9(11)4-3-8(10)5-6-12/h3-4,7H,5H2,1-2H3
InChIKeyHLQVZHNALYETGB-UHFFFAOYSA-N
XLogP1.14
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N,N-dimethyl-2-(2-methylpropyl)benzenesulfonamide
CID 59389599
2-(cyanomethyl)-5-fluorobenzonitrile
CID 45090709
2-chloro-N-(cyanomethyl)-5-fluoro-N-methylbenzenesulfonamide
CID 75483847
2-(chloromethyl)-N-ethyl-5-fluoro-N-methylbenzenesulfonamide
CID 102920020
2-(2-tert-butyl-5-fluorophenyl)acetonitrile
CID 59139819
ethane;2-(5-fluoro-2-methylphenyl)acetonitrile
CID 177006757
2-(chloromethyl)-5-fluoro-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 102920040
5-fluoro-2-(hydroxymethyl)-N-methyl-N-pentan-3-ylbenzenesulfonamide
CID 102919721
5-fluoro-N-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102920255
5-fluoro-N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 102920881
N-[3-(dimethylamino)propyl]-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 102920795
2-(aminomethyl)-N-cyclobutyl-5-fluoro-N-methylbenzenesulfonamide
CID 102921048

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethyl)-5-fluoro-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-(cyanomethyl)-5-fluoro-N,N-dimethylbenzenesulfonamide (CID 58126992) is 2-(cyanomethyl)-5-fluoro-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-(cyanomethyl)-5-fluoro-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-(cyanomethyl)-5-fluoro-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cc(F)ccc1CC#N.
What is the InChIKey of 2-(cyanomethyl)-5-fluoro-N,N-dimethylbenzenesulfonamide?
The InChIKey is HLQVZHNALYETGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2S/c1-13(2)16(14,15)10-7-9(11)4-3-8(10)5-6-12/h3-4,7H,5H2,1-2H3.
What are the key properties of 2-(cyanomethyl)-5-fluoro-N,N-dimethylbenzenesulfonamide?
2-(cyanomethyl)-5-fluoro-N,N-dimethylbenzenesulfonamide has a molecular weight of 242.27 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethyl)-5-fluoro-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 58126992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).