4-amino-N-(3-chloro-4-fluorophenyl)-3-sulfamoylbenzamide

C13H11ClFN3O3S — CID 146301388

IUPAC4-amino-N-(3-chloro-4-fluorophenyl)-3-sulfamoylbenzamide
SMILESNc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1S(N)(=O)=O
InChIInChI=1S/C13H11ClFN3O3S/c14-9-6-8(2-3-10(9)15)18-13(19)7-1-4-11(16)12(5-7)22(17,20)21/h1-6H,16H2,(H,18,19)(H2,17,20,21)
InChIKeyAAPILVOWTLIFFD-UHFFFAOYSA-N
MW343.77 g/mol
LogP1.96
Rot. Bonds3

About 4-amino-N-(3-chloro-4-fluorophenyl)-3-sulfamoylbenzamide

4-amino-N-(3-chloro-4-fluorophenyl)-3-sulfamoylbenzamide (PubChem CID 146301388) has the molecular formula C13H11ClFN3O3S and a molecular weight of 343.77 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-4-fluorophenyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-4-fluorophenyl)-3-sulfamoylbenzamide
PubChem CID146301388
Molecular FormulaC13H11ClFN3O3S
Molecular Weight343.77 g/mol
Exact Mass343.02
IUPAC Name4-amino-N-(3-chloro-4-fluorophenyl)-3-sulfamoylbenzamide
SMILESNc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1S(N)(=O)=O
InChIInChI=1S/C13H11ClFN3O3S/c14-9-6-8(2-3-10(9)15)18-13(19)7-1-4-11(16)12(5-7)22(17,20)21/h1-6H,16H2,(H,18,19)(H2,17,20,21)
InChIKeyAAPILVOWTLIFFD-UHFFFAOYSA-N
XLogP1.96
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-4-fluorophenyl)-3-sulfamoylbenzamide?
The IUPAC name of 4-amino-N-(3-chloro-4-fluorophenyl)-3-sulfamoylbenzamide (CID 146301388) is 4-amino-N-(3-chloro-4-fluorophenyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-amino-N-(3-chloro-4-fluorophenyl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-amino-N-(3-chloro-4-fluorophenyl)-3-sulfamoylbenzamide is Nc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1S(N)(=O)=O.
What is the InChIKey of 4-amino-N-(3-chloro-4-fluorophenyl)-3-sulfamoylbenzamide?
The InChIKey is AAPILVOWTLIFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O3S/c14-9-6-8(2-3-10(9)15)18-13(19)7-1-4-11(16)12(5-7)22(17,20)21/h1-6H,16H2,(H,18,19)(H2,17,20,21).
What are the key properties of 4-amino-N-(3-chloro-4-fluorophenyl)-3-sulfamoylbenzamide?
4-amino-N-(3-chloro-4-fluorophenyl)-3-sulfamoylbenzamide has a molecular weight of 343.77 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-4-fluorophenyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 146301388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).