N-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2-chlorobenzamide

C20H15ClFN3O4S — CID 18892993

IUPACN-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2-chlorobenzamide
SMILESNC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)cc1
InChIInChI=1S/C20H15ClFN3O4S/c21-16-4-2-1-3-15(16)20(27)24-18-10-9-14(11-17(18)22)30(28,29)25-13-7-5-12(6-8-13)19(23)26/h1-11,25H,(H2,23,26)(H,24,27)
InChIKeyMSZOFUUYVILXMP-UHFFFAOYSA-N
MW447.88 g/mol
LogP3.63
Rot. Bonds6

About N-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2-chlorobenzamide

N-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2-chlorobenzamide (PubChem CID 18892993) has the molecular formula C20H15ClFN3O4S and a molecular weight of 447.88 g/mol. Its IUPAC name is N-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2-chlorobenzamide
PubChem CID18892993
Molecular FormulaC20H15ClFN3O4S
Molecular Weight447.88 g/mol
Exact Mass447.05
IUPAC NameN-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2-chlorobenzamide
SMILESNC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)cc1
InChIInChI=1S/C20H15ClFN3O4S/c21-16-4-2-1-3-15(16)20(27)24-18-10-9-14(11-17(18)22)30(28,29)25-13-7-5-12(6-8-13)19(23)26/h1-11,25H,(H2,23,26)(H,24,27)
InChIKeyMSZOFUUYVILXMP-UHFFFAOYSA-N
XLogP3.63
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.88
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2-chlorobenzamide?
The IUPAC name of N-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2-chlorobenzamide (CID 18892993) is N-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2-chlorobenzamide.
What is the SMILES notation for N-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2-chlorobenzamide?
The canonical SMILES for N-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2-chlorobenzamide is NC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)cc1.
What is the InChIKey of N-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2-chlorobenzamide?
The InChIKey is MSZOFUUYVILXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O4S/c21-16-4-2-1-3-15(16)20(27)24-18-10-9-14(11-17(18)22)30(28,29)25-13-7-5-12(6-8-13)19(23)26/h1-11,25H,(H2,23,26)(H,24,27).
What are the key properties of N-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2-chlorobenzamide?
N-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2-chlorobenzamide has a molecular weight of 447.88 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2-chlorobenzamide is sourced from PubChem (CID 18892993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).