2-amino-N-(3-cyanophenyl)-5-fluoro-N-methylbenzenesulfonamide

C14H12FN3O2S — CID 62982457

IUPAC2-amino-N-(3-cyanophenyl)-5-fluoro-N-methylbenzenesulfonamide
SMILESCN(c1cccc(C#N)c1)S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C14H12FN3O2S/c1-18(12-4-2-3-10(7-12)9-16)21(19,20)14-8-11(15)5-6-13(14)17/h2-8H,17H2,1H3
InChIKeyLMUMYAWEOQOVHW-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.10
Rot. Bonds3

About 2-amino-N-(3-cyanophenyl)-5-fluoro-N-methylbenzenesulfonamide

2-amino-N-(3-cyanophenyl)-5-fluoro-N-methylbenzenesulfonamide (PubChem CID 62982457) has the molecular formula C14H12FN3O2S and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-amino-N-(3-cyanophenyl)-5-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-cyanophenyl)-5-fluoro-N-methylbenzenesulfonamide
PubChem CID62982457
Molecular FormulaC14H12FN3O2S
Molecular Weight305.33 g/mol
Exact Mass305.06
IUPAC Name2-amino-N-(3-cyanophenyl)-5-fluoro-N-methylbenzenesulfonamide
SMILESCN(c1cccc(C#N)c1)S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C14H12FN3O2S/c1-18(12-4-2-3-10(7-12)9-16)21(19,20)14-8-11(15)5-6-13(14)17/h2-8H,17H2,1H3
InChIKeyLMUMYAWEOQOVHW-UHFFFAOYSA-N
XLogP2.10
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-cyanophenyl)-5-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(3-cyanophenyl)-5-fluoro-N-methylbenzenesulfonamide (CID 62982457) is 2-amino-N-(3-cyanophenyl)-5-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(3-cyanophenyl)-5-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(3-cyanophenyl)-5-fluoro-N-methylbenzenesulfonamide is CN(c1cccc(C#N)c1)S(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-N-(3-cyanophenyl)-5-fluoro-N-methylbenzenesulfonamide?
The InChIKey is LMUMYAWEOQOVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S/c1-18(12-4-2-3-10(7-12)9-16)21(19,20)14-8-11(15)5-6-13(14)17/h2-8H,17H2,1H3.
What are the key properties of 2-amino-N-(3-cyanophenyl)-5-fluoro-N-methylbenzenesulfonamide?
2-amino-N-(3-cyanophenyl)-5-fluoro-N-methylbenzenesulfonamide has a molecular weight of 305.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-cyanophenyl)-5-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 62982457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).