N-(3-amino-4-fluorophenyl)-5-chloro-2-cyanobenzenesulfonamide

C13H9ClFN3O2S — CID 43604886

IUPACN-(3-amino-4-fluorophenyl)-5-chloro-2-cyanobenzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C13H9ClFN3O2S/c14-9-2-1-8(7-16)13(5-9)21(19,20)18-10-3-4-11(15)12(17)6-10/h1-6,18H,17H2
InChIKeyYGHAHKUQCUFSMM-UHFFFAOYSA-N
MW325.75 g/mol
LogP2.73
Rot. Bonds3

About N-(3-amino-4-fluorophenyl)-5-chloro-2-cyanobenzenesulfonamide

N-(3-amino-4-fluorophenyl)-5-chloro-2-cyanobenzenesulfonamide (PubChem CID 43604886) has the molecular formula C13H9ClFN3O2S and a molecular weight of 325.75 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-5-chloro-2-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-5-chloro-2-cyanobenzenesulfonamide
PubChem CID43604886
Molecular FormulaC13H9ClFN3O2S
Molecular Weight325.75 g/mol
Exact Mass325.01
IUPAC NameN-(3-amino-4-fluorophenyl)-5-chloro-2-cyanobenzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C13H9ClFN3O2S/c14-9-2-1-8(7-16)13(5-9)21(19,20)18-10-3-4-11(15)12(17)6-10/h1-6,18H,17H2
InChIKeyYGHAHKUQCUFSMM-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

5-amino-2-chloro-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide
CID 61111884
2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide
CID 28938069
2-amino-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 54888841
4-amino-N-(5-chloro-2-cyanophenyl)-2-fluorobenzenesulfonamide
CID 64914781
5-chloro-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 141028077
5-chloro-2-cyanobenzenesulfonamide
CID 43243622
N-(3-amino-4-methylphenyl)-2-cyanobenzenesulfonamide
CID 29287347
4-amino-N-(3-cyano-4-fluorophenyl)-3-fluorobenzenesulfonamide
CID 82845927
2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114837085
3-amino-N-(3-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 43347895
N-[4-(3-amino-2H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]-5-chloro-2-cyanobenzenesulfonamide
CID 86268374
N-(3-amino-4-fluorophenyl)-3,5-difluorobenzenesulfonamide
CID 43604908

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-5-chloro-2-cyanobenzenesulfonamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-5-chloro-2-cyanobenzenesulfonamide (CID 43604886) is N-(3-amino-4-fluorophenyl)-5-chloro-2-cyanobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-5-chloro-2-cyanobenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-5-chloro-2-cyanobenzenesulfonamide is N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-5-chloro-2-cyanobenzenesulfonamide?
The InChIKey is YGHAHKUQCUFSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O2S/c14-9-2-1-8(7-16)13(5-9)21(19,20)18-10-3-4-11(15)12(17)6-10/h1-6,18H,17H2.
What are the key properties of N-(3-amino-4-fluorophenyl)-5-chloro-2-cyanobenzenesulfonamide?
N-(3-amino-4-fluorophenyl)-5-chloro-2-cyanobenzenesulfonamide 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 N-(3-amino-4-fluorophenyl)-5-chloro-2-cyanobenzenesulfonamide is sourced from PubChem (CID 43604886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).