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

C13H9ClFN3O2S — CID 61111884

IUPAC5-amino-2-chloro-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cc(N)c(F)cc2Cl)cc1
InChIInChI=1S/C13H9ClFN3O2S/c14-10-5-11(15)12(17)6-13(10)21(19,20)18-9-3-1-8(7-16)2-4-9/h1-6,18H,17H2
InChIKeyBQPLCSPMTGSXAP-UHFFFAOYSA-N
MW325.75 g/mol
LogP2.73
Rot. Bonds3

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

5-amino-2-chloro-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide (PubChem CID 61111884) has the molecular formula C13H9ClFN3O2S and a molecular weight of 325.75 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide
PubChem CID61111884
Molecular FormulaC13H9ClFN3O2S
Molecular Weight325.75 g/mol
Exact Mass325.01
IUPAC Name5-amino-2-chloro-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cc(N)c(F)cc2Cl)cc1
InChIInChI=1S/C13H9ClFN3O2S/c14-10-5-11(15)12(17)6-13(10)21(19,20)18-9-3-1-8(7-16)2-4-9/h1-6,18H,17H2
InChIKeyBQPLCSPMTGSXAP-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-2-chloro-N-(4-cyanophenyl)benzenesulfonamide
CID 28553639
2-amino-5-bromo-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide
CID 106491269
5-amino-2-chloro-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587500
5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide
CID 61111881
5-amino-2-chloro-N-(2-chlorophenyl)-4-fluorobenzenesulfonamide
CID 61110957
N-(3-amino-4-fluorophenyl)-5-chloro-2-cyanobenzenesulfonamide
CID 43604886
5-amino-2-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 61112072
4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 43257695
5-amino-2-bromo-N-(4-cyanophenyl)benzenesulfonamide
CID 65201995
4-amino-2-bromo-N-(4-cyanophenyl)benzenesulfonamide
CID 43256061
3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 47309323
5-amino-2-chloro-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 83166065

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide (CID 61111884) is 5-amino-2-chloro-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide is N#Cc1ccc(NS(=O)(=O)c2cc(N)c(F)cc2Cl)cc1.
What is the InChIKey of 5-amino-2-chloro-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide?
The InChIKey is BQPLCSPMTGSXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O2S/c14-10-5-11(15)12(17)6-13(10)21(19,20)18-9-3-1-8(7-16)2-4-9/h1-6,18H,17H2.
What are the key properties of 5-amino-2-chloro-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide?
5-amino-2-chloro-N-(4-cyanophenyl)-4-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-2-chloro-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 61111884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).