N-(2-chloro-4-sulfamoylphenyl)-2,3,5,6-tetrafluorobenzamide

C13H7ClF4N2O3S — CID 11361075

IUPACN-(2-chloro-4-sulfamoylphenyl)-2,3,5,6-tetrafluorobenzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(Cl)c1
InChIInChI=1S/C13H7ClF4N2O3S/c14-6-3-5(24(19,22)23)1-2-9(6)20-13(21)10-11(17)7(15)4-8(16)12(10)18/h1-4H,(H,20,21)(H2,19,22,23)
InChIKeyDXLZSIXOWQELJZ-UHFFFAOYSA-N
MW382.72 g/mol
LogP2.80
Rot. Bonds3

About N-(2-chloro-4-sulfamoylphenyl)-2,3,5,6-tetrafluorobenzamide

N-(2-chloro-4-sulfamoylphenyl)-2,3,5,6-tetrafluorobenzamide (PubChem CID 11361075) has the molecular formula C13H7ClF4N2O3S and a molecular weight of 382.72 g/mol. Its IUPAC name is N-(2-chloro-4-sulfamoylphenyl)-2,3,5,6-tetrafluorobenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-sulfamoylphenyl)-2,3,5,6-tetrafluorobenzamide
PubChem CID11361075
Molecular FormulaC13H7ClF4N2O3S
Molecular Weight382.72 g/mol
Exact Mass381.98
IUPAC NameN-(2-chloro-4-sulfamoylphenyl)-2,3,5,6-tetrafluorobenzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(Cl)c1
InChIInChI=1S/C13H7ClF4N2O3S/c14-6-3-5(24(19,22)23)1-2-9(6)20-13(21)10-11(17)7(15)4-8(16)12(10)18/h1-4H,(H,20,21)(H2,19,22,23)
InChIKeyDXLZSIXOWQELJZ-UHFFFAOYSA-N
XLogP2.80
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.72
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-sulfamoylphenyl)-2,3,5,6-tetrafluorobenzamide?
The IUPAC name of N-(2-chloro-4-sulfamoylphenyl)-2,3,5,6-tetrafluorobenzamide (CID 11361075) is N-(2-chloro-4-sulfamoylphenyl)-2,3,5,6-tetrafluorobenzamide.
What is the SMILES notation for N-(2-chloro-4-sulfamoylphenyl)-2,3,5,6-tetrafluorobenzamide?
The canonical SMILES for N-(2-chloro-4-sulfamoylphenyl)-2,3,5,6-tetrafluorobenzamide is NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-sulfamoylphenyl)-2,3,5,6-tetrafluorobenzamide?
The InChIKey is DXLZSIXOWQELJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF4N2O3S/c14-6-3-5(24(19,22)23)1-2-9(6)20-13(21)10-11(17)7(15)4-8(16)12(10)18/h1-4H,(H,20,21)(H2,19,22,23).
What are the key properties of N-(2-chloro-4-sulfamoylphenyl)-2,3,5,6-tetrafluorobenzamide?
N-(2-chloro-4-sulfamoylphenyl)-2,3,5,6-tetrafluorobenzamide has a molecular weight of 382.72 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-sulfamoylphenyl)-2,3,5,6-tetrafluorobenzamide is sourced from PubChem (CID 11361075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).