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

C13H9ClFN3O2S — CID 107526668

IUPAC2-amino-N-(2-chloro-5-fluorophenyl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2Cl)c(N)c1
InChIInChI=1S/C13H9ClFN3O2S/c14-10-3-2-9(15)6-12(10)18-21(19,20)13-4-1-8(7-16)5-11(13)17/h1-6,18H,17H2
InChIKeySEZPZJFVUPPXRV-UHFFFAOYSA-N
MW325.75 g/mol
LogP2.73
Rot. Bonds3

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

2-amino-N-(2-chloro-5-fluorophenyl)-4-cyanobenzenesulfonamide (PubChem CID 107526668) has the molecular formula C13H9ClFN3O2S and a molecular weight of 325.75 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-5-fluorophenyl)-4-cyanobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-5-fluorophenyl)-4-cyanobenzenesulfonamide
PubChem CID107526668
Molecular FormulaC13H9ClFN3O2S
Molecular Weight325.75 g/mol
Exact Mass325.01
IUPAC Name2-amino-N-(2-chloro-5-fluorophenyl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2Cl)c(N)c1
InChIInChI=1S/C13H9ClFN3O2S/c14-10-3-2-9(15)6-12(10)18-21(19,20)13-4-1-8(7-16)5-11(13)17/h1-6,18H,17H2
InChIKeySEZPZJFVUPPXRV-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

2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide
CID 107806945
2-amino-4-cyano-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 64899554
2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 103988599
N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide
CID 103791874
2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 80696701
N-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide
CID 78965173
N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide
CID 70140206
2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 43438207
N-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704826
5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide
CID 107806943
2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)benzenesulfonamide
CID 106088506
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-5-fluorophenyl)-4-cyanobenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-chloro-5-fluorophenyl)-4-cyanobenzenesulfonamide (CID 107526668) is 2-amino-N-(2-chloro-5-fluorophenyl)-4-cyanobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-chloro-5-fluorophenyl)-4-cyanobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-chloro-5-fluorophenyl)-4-cyanobenzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2Cl)c(N)c1.
What is the InChIKey of 2-amino-N-(2-chloro-5-fluorophenyl)-4-cyanobenzenesulfonamide?
The InChIKey is SEZPZJFVUPPXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O2S/c14-10-3-2-9(15)6-12(10)18-21(19,20)13-4-1-8(7-16)5-11(13)17/h1-6,18H,17H2.
What are the key properties of 2-amino-N-(2-chloro-5-fluorophenyl)-4-cyanobenzenesulfonamide?
2-amino-N-(2-chloro-5-fluorophenyl)-4-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 2-amino-N-(2-chloro-5-fluorophenyl)-4-cyanobenzenesulfonamide is sourced from PubChem (CID 107526668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).