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

C13H9ClFN3O2S — CID 107806943

IUPAC5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cc(N)ccc2F)c(Cl)c1
InChIInChI=1S/C13H9ClFN3O2S/c14-10-5-8(7-16)1-4-12(10)18-21(19,20)13-6-9(17)2-3-11(13)15/h1-6,18H,17H2
InChIKeyWYJYXSAWEMBXNL-UHFFFAOYSA-N
MW325.75 g/mol
LogP2.73
Rot. Bonds3

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

5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide (PubChem CID 107806943) has the molecular formula C13H9ClFN3O2S and a molecular weight of 325.75 g/mol. Its IUPAC name is 5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide
PubChem CID107806943
Molecular FormulaC13H9ClFN3O2S
Molecular Weight325.75 g/mol
Exact Mass325.01
IUPAC Name5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cc(N)ccc2F)c(Cl)c1
InChIInChI=1S/C13H9ClFN3O2S/c14-10-5-8(7-16)1-4-12(10)18-21(19,20)13-6-9(17)2-3-11(13)15/h1-6,18H,17H2
InChIKeyWYJYXSAWEMBXNL-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

4-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806959
2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide
CID 107806945
N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide
CID 103791874
3-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806930
5-amino-2-(2-chloro-4-cyanoanilino)benzenesulfonamide
CID 107807019
5-amino-N-(2-bromo-5-chlorophenyl)-2-fluorobenzenesulfonamide
CID 81262650
5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 43255417
2-chloro-N-(4-chloro-2-hydroxyphenyl)-5-cyanobenzenesulfonamide
CID 81422590
2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide
CID 107810158
N-(2-chloro-4-cyanophenyl)-3-fluoropyridine-2-sulfonamide
CID 107807709
4-amino-N-(5-chloro-2-cyanophenyl)-2-fluorobenzenesulfonamide
CID 64914781
4-amino-N-(2-chloro-4-cyanophenyl)-3-methylbenzenesulfonamide
CID 107806926

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide (CID 107806943) is 5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide is N#Cc1ccc(NS(=O)(=O)c2cc(N)ccc2F)c(Cl)c1.
What is the InChIKey of 5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide?
The InChIKey is WYJYXSAWEMBXNL-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(17)2-3-11(13)15/h1-6,18H,17H2.
What are the key properties of 5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide?
5-amino-N-(2-chloro-4-cyanophenyl)-2-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 5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 107806943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).