N-[(3-cyanophenyl)methyl]-3-fluoro-N-methylpyridine-2-sulfonamide

C14H12FN3O2S — CID 103299693

IUPACN-[(3-cyanophenyl)methyl]-3-fluoro-N-methylpyridine-2-sulfonamide
SMILESCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C14H12FN3O2S/c1-18(10-12-5-2-4-11(8-12)9-16)21(19,20)14-13(15)6-3-7-17-14/h2-8H,10H2,1H3
InChIKeyDLUGZMASXUCELR-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.91
Rot. Bonds4

About N-[(3-cyanophenyl)methyl]-3-fluoro-N-methylpyridine-2-sulfonamide

N-[(3-cyanophenyl)methyl]-3-fluoro-N-methylpyridine-2-sulfonamide (PubChem CID 103299693) has the molecular formula C14H12FN3O2S and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-3-fluoro-N-methylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-3-fluoro-N-methylpyridine-2-sulfonamide
PubChem CID103299693
Molecular FormulaC14H12FN3O2S
Molecular Weight305.33 g/mol
Exact Mass305.06
IUPAC NameN-[(3-cyanophenyl)methyl]-3-fluoro-N-methylpyridine-2-sulfonamide
SMILESCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C14H12FN3O2S/c1-18(10-12-5-2-4-11(8-12)9-16)21(19,20)14-13(15)6-3-7-17-14/h2-8H,10H2,1H3
InChIKeyDLUGZMASXUCELR-UHFFFAOYSA-N
XLogP1.91
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-2-sulfonamide
CID 103298452
3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide
CID 103299462
N-[(3-cyanophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 47268104
5-amino-N-[(3-cyanophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 61111809
N-[(3-fluorophenyl)methyl]-3-hydrazinyl-N-methylpyridine-2-sulfonamide
CID 103300825
N-[(3-cyanophenyl)methyl]-1-ethyl-N-methylimidazole-4-sulfonamide
CID 79369438
N-[(3-cyanophenyl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 62960505
4-chloro-N-[(3-cyanophenyl)methyl]-N-methylbutane-1-sulfonamide
CID 116815295
N-[(3-cyanophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 78950805
N-[(3-cyanophenyl)methyl]-N,3-dimethylpyridine-2-carboxamide
CID 62968450
N-[(3-cyanophenyl)methyl]-2-methoxy-N-methylethanesulfonamide
CID 55153232
N-methyl-3-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103305698

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-3-fluoro-N-methylpyridine-2-sulfonamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-3-fluoro-N-methylpyridine-2-sulfonamide (CID 103299693) is N-[(3-cyanophenyl)methyl]-3-fluoro-N-methylpyridine-2-sulfonamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-3-fluoro-N-methylpyridine-2-sulfonamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-3-fluoro-N-methylpyridine-2-sulfonamide is CN(Cc1cccc(C#N)c1)S(=O)(=O)c1ncccc1F.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-3-fluoro-N-methylpyridine-2-sulfonamide?
The InChIKey is DLUGZMASXUCELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S/c1-18(10-12-5-2-4-11(8-12)9-16)21(19,20)14-13(15)6-3-7-17-14/h2-8H,10H2,1H3.
What are the key properties of N-[(3-cyanophenyl)methyl]-3-fluoro-N-methylpyridine-2-sulfonamide?
N-[(3-cyanophenyl)methyl]-3-fluoro-N-methylpyridine-2-sulfonamide has a molecular weight of 305.33 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-3-fluoro-N-methylpyridine-2-sulfonamide is sourced from PubChem (CID 103299693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).