2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide

C13H9ClFN3O2S — CID 107806945

IUPAC2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cc(F)ccc2N)c(Cl)c1
InChIInChI=1S/C13H9ClFN3O2S/c14-10-5-8(7-16)1-4-12(10)18-21(19,20)13-6-9(15)2-3-11(13)17/h1-6,18H,17H2
InChIKeyIVJPZVUGAQYWLQ-UHFFFAOYSA-N
MW325.75 g/mol
LogP2.73
Rot. Bonds3

About 2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide

2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide (PubChem CID 107806945) has the molecular formula C13H9ClFN3O2S and a molecular weight of 325.75 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide
PubChem CID107806945
Molecular FormulaC13H9ClFN3O2S
Molecular Weight325.75 g/mol
Exact Mass325.01
IUPAC Name2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cc(F)ccc2N)c(Cl)c1
InChIInChI=1S/C13H9ClFN3O2S/c14-10-5-8(7-16)1-4-12(10)18-21(19,20)13-6-9(15)2-3-11(13)17/h1-6,18H,17H2
InChIKeyIVJPZVUGAQYWLQ-UHFFFAOYSA-N
XLogP2.73
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 52.73
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

N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide
CID 103791874
5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide
CID 107806943
2-amino-N-(2-chloro-5-fluorophenyl)-4-cyanobenzenesulfonamide
CID 107526668
3-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806930
4-amino-N-(2-chloro-4-cyanophenyl)-3-methylbenzenesulfonamide
CID 107806926
4-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806959
2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 103988599
N-(4-amino-2-chlorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399440
4-(2-amino-4-fluoroanilino)-3-chlorobenzonitrile
CID 107806975
N-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide
CID 26969917
N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide
CID 70140206
2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide
CID 115972540

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide (CID 107806945) is 2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide is N#Cc1ccc(NS(=O)(=O)c2cc(F)ccc2N)c(Cl)c1.
What is the InChIKey of 2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide?
The InChIKey is IVJPZVUGAQYWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O2S/c14-10-5-8(7-16)1-4-12(10)18-21(19,20)13-6-9(15)2-3-11(13)17/h1-6,18H,17H2.
What are the key properties of 2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide?
2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide has a molecular weight of 325.75 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 107806945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).