N-(3-cyano-4-fluorophenyl)-2-(methylamino)benzenesulfonamide

C14H12FN3O2S — CID 62317403

IUPACN-(3-cyano-4-fluorophenyl)-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C14H12FN3O2S/c1-17-13-4-2-3-5-14(13)21(19,20)18-11-6-7-12(15)10(8-11)9-16/h2-8,17-18H,1H3
InChIKeyYBHMCXYDMXFHFY-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.54
Rot. Bonds4

About N-(3-cyano-4-fluorophenyl)-2-(methylamino)benzenesulfonamide

N-(3-cyano-4-fluorophenyl)-2-(methylamino)benzenesulfonamide (PubChem CID 62317403) has the molecular formula C14H12FN3O2S and a molecular weight of 305.33 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-2-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-2-(methylamino)benzenesulfonamide
PubChem CID62317403
Molecular FormulaC14H12FN3O2S
Molecular Weight305.33 g/mol
Exact Mass305.06
IUPAC NameN-(3-cyano-4-fluorophenyl)-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C14H12FN3O2S/c1-17-13-4-2-3-5-14(13)21(19,20)18-11-6-7-12(15)10(8-11)9-16/h2-8,17-18H,1H3
InChIKeyYBHMCXYDMXFHFY-UHFFFAOYSA-N
XLogP2.54
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 62317386
5-bromo-N-(3-cyano-4-fluorophenyl)-2-methylbenzenesulfonamide
CID 62316181
3-[(3-cyano-4-fluorophenyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid
CID 71880894
2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 62149736
N-(3-cyano-4-fluorophenyl)propane-2-sulfonamide
CID 62317570
N-(3-cyano-4-fluorophenyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103301404
5-bromo-N-(3-cyano-4-fluorophenyl)thiophene-2-sulfonamide
CID 62317032
N-(4-fluoro-3-methoxyphenyl)-2-hydrazinylbenzenesulfonamide
CID 114840106
N-(3-cyano-4-fluorophenyl)-1,1-difluoromethanesulfonamide
CID 62315969
N-(2,3-difluorophenyl)-2-(methylamino)benzenesulfonamide
CID 62146722
4-amino-N-(3-cyano-4-fluorophenyl)-3-fluorobenzenesulfonamide
CID 82845927
1-bromo-N-(3-cyano-4-fluorophenyl)methanesulfonamide
CID 83093556

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-2-(methylamino)benzenesulfonamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-2-(methylamino)benzenesulfonamide (CID 62317403) is N-(3-cyano-4-fluorophenyl)-2-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-2-(methylamino)benzenesulfonamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-2-(methylamino)benzenesulfonamide is CNc1ccccc1S(=O)(=O)Nc1ccc(F)c(C#N)c1.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-2-(methylamino)benzenesulfonamide?
The InChIKey is YBHMCXYDMXFHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S/c1-17-13-4-2-3-5-14(13)21(19,20)18-11-6-7-12(15)10(8-11)9-16/h2-8,17-18H,1H3.
What are the key properties of N-(3-cyano-4-fluorophenyl)-2-(methylamino)benzenesulfonamide?
N-(3-cyano-4-fluorophenyl)-2-(methylamino)benzenesulfonamide has a molecular weight of 305.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-2-(methylamino)benzenesulfonamide is sourced from PubChem (CID 62317403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).