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

C13H9ClFN3O2S — CID 64914781

IUPAC4-amino-N-(5-chloro-2-cyanophenyl)-2-fluorobenzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C13H9ClFN3O2S/c14-9-2-1-8(7-16)12(5-9)18-21(19,20)13-4-3-10(17)6-11(13)15/h1-6,18H,17H2
InChIKeyBPAOSCVXGGSIJO-UHFFFAOYSA-N
MW325.75 g/mol
LogP2.73
Rot. Bonds3

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

4-amino-N-(5-chloro-2-cyanophenyl)-2-fluorobenzenesulfonamide (PubChem CID 64914781) has the molecular formula C13H9ClFN3O2S and a molecular weight of 325.75 g/mol. Its IUPAC name is 4-amino-N-(5-chloro-2-cyanophenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(5-chloro-2-cyanophenyl)-2-fluorobenzenesulfonamide
PubChem CID64914781
Molecular FormulaC13H9ClFN3O2S
Molecular Weight325.75 g/mol
Exact Mass325.01
IUPAC Name4-amino-N-(5-chloro-2-cyanophenyl)-2-fluorobenzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C13H9ClFN3O2S/c14-9-2-1-8(7-16)12(5-9)18-21(19,20)13-4-3-10(17)6-11(13)15/h1-6,18H,17H2
InChIKeyBPAOSCVXGGSIJO-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-(4-bromo-2-cyanophenyl)-2-fluorobenzenesulfonamide
CID 82692232
2-amino-N-(5-chloro-2-cyanophenyl)-6-fluorobenzenesulfonamide
CID 64914782
2-(4-amino-2-fluoroanilino)-4-chlorobenzonitrile
CID 64914398
5-amino-N-(2-bromo-5-chlorophenyl)-2-fluorobenzenesulfonamide
CID 81262650
2-amino-4-chloro-N-(2-cyanophenyl)benzenesulfonamide
CID 28542938
2-amino-N-(5-chloro-2-cyanophenyl)pyridine-4-sulfonamide
CID 64920454
5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide
CID 107806943
N-(5-chloro-2-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide
CID 64917903
3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide
CID 106605832
N-(5-amino-2-fluorophenyl)-4-chloro-2-methylbenzenesulfonamide
CID 43604953
N-(3-amino-4-fluorophenyl)-5-chloro-2-cyanobenzenesulfonamide
CID 43604886
4-bromo-N-(5-chloro-2-fluorophenyl)-2-fluorobenzenesulfonamide
CID 116528139

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-chloro-2-cyanophenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(5-chloro-2-cyanophenyl)-2-fluorobenzenesulfonamide (CID 64914781) is 4-amino-N-(5-chloro-2-cyanophenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(5-chloro-2-cyanophenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(5-chloro-2-cyanophenyl)-2-fluorobenzenesulfonamide is N#Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(N)cc1F.
What is the InChIKey of 4-amino-N-(5-chloro-2-cyanophenyl)-2-fluorobenzenesulfonamide?
The InChIKey is BPAOSCVXGGSIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O2S/c14-9-2-1-8(7-16)12(5-9)18-21(19,20)13-4-3-10(17)6-11(13)15/h1-6,18H,17H2.
What are the key properties of 4-amino-N-(5-chloro-2-cyanophenyl)-2-fluorobenzenesulfonamide?
4-amino-N-(5-chloro-2-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 4-amino-N-(5-chloro-2-cyanophenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 64914781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).