5-amino-N-(2-cyano-3-fluorophenyl)-2-methylbenzenesulfonamide

C14H12FN3O2S — CID 43580304

IUPAC5-amino-N-(2-cyano-3-fluorophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)Nc1cccc(F)c1C#N
InChIInChI=1S/C14H12FN3O2S/c1-9-5-6-10(17)7-14(9)21(19,20)18-13-4-2-3-12(15)11(13)8-16/h2-7,18H,17H2,1H3
InChIKeyPMRHUJVSDXNXPU-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.39
Rot. Bonds3

About 5-amino-N-(2-cyano-3-fluorophenyl)-2-methylbenzenesulfonamide

5-amino-N-(2-cyano-3-fluorophenyl)-2-methylbenzenesulfonamide (PubChem CID 43580304) has the molecular formula C14H12FN3O2S and a molecular weight of 305.33 g/mol. Its IUPAC name is 5-amino-N-(2-cyano-3-fluorophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-cyano-3-fluorophenyl)-2-methylbenzenesulfonamide
PubChem CID43580304
Molecular FormulaC14H12FN3O2S
Molecular Weight305.33 g/mol
Exact Mass305.06
IUPAC Name5-amino-N-(2-cyano-3-fluorophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)Nc1cccc(F)c1C#N
InChIInChI=1S/C14H12FN3O2S/c1-9-5-6-10(17)7-14(9)21(19,20)18-13-4-2-3-12(15)11(13)8-16/h2-7,18H,17H2,1H3
InChIKeyPMRHUJVSDXNXPU-UHFFFAOYSA-N
XLogP2.39
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-bromo-6-fluorophenyl)-2-methylbenzenesulfonamide
CID 107596369
N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide
CID 43580569
4-amino-N-(2-cyano-3-fluorophenyl)thiophene-2-sulfonamide
CID 61299391
4-amino-N-(2-cyano-3-fluorophenyl)-3-fluorobenzenesulfonamide
CID 82845262
4-bromo-N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide
CID 60823914
5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 29043173
N-(2-cyano-3-methylphenyl)-2,4-difluorobenzenesulfonamide
CID 103920662
N-(5-amino-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 16773575
5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 79989335
3-amino-N-(2-cyano-3-methylphenyl)benzenesulfonamide
CID 107802519
5-bromo-N-(2,3-difluorophenyl)-2-methylbenzenesulfonamide
CID 47336995
N-(5-amino-2-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344317

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-cyano-3-fluorophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(2-cyano-3-fluorophenyl)-2-methylbenzenesulfonamide (CID 43580304) is 5-amino-N-(2-cyano-3-fluorophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2-cyano-3-fluorophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2-cyano-3-fluorophenyl)-2-methylbenzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)Nc1cccc(F)c1C#N.
What is the InChIKey of 5-amino-N-(2-cyano-3-fluorophenyl)-2-methylbenzenesulfonamide?
The InChIKey is PMRHUJVSDXNXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S/c1-9-5-6-10(17)7-14(9)21(19,20)18-13-4-2-3-12(15)11(13)8-16/h2-7,18H,17H2,1H3.
What are the key properties of 5-amino-N-(2-cyano-3-fluorophenyl)-2-methylbenzenesulfonamide?
5-amino-N-(2-cyano-3-fluorophenyl)-2-methylbenzenesulfonamide has a molecular weight of 305.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-cyano-3-fluorophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 43580304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).