2,6-dichloro-N-(2,2-difluoroethyl)-3-sulfamoylbenzamide

C9H8Cl2F2N2O3S — CID 115408900

IUPAC2,6-dichloro-N-(2,2-difluoroethyl)-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC(F)F)c1Cl
InChIInChI=1S/C9H8Cl2F2N2O3S/c10-4-1-2-5(19(14,17)18)8(11)7(4)9(16)15-3-6(12)13/h1-2,6H,3H2,(H,15,16)(H2,14,17,18)
InChIKeyISTRZBXMLBHCDQ-UHFFFAOYSA-N
MW333.14 g/mol
LogP1.64
Rot. Bonds4

About 2,6-dichloro-N-(2,2-difluoroethyl)-3-sulfamoylbenzamide

2,6-dichloro-N-(2,2-difluoroethyl)-3-sulfamoylbenzamide (PubChem CID 115408900) has the molecular formula C9H8Cl2F2N2O3S and a molecular weight of 333.14 g/mol. Its IUPAC name is 2,6-dichloro-N-(2,2-difluoroethyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2,2-difluoroethyl)-3-sulfamoylbenzamide
PubChem CID115408900
Molecular FormulaC9H8Cl2F2N2O3S
Molecular Weight333.14 g/mol
Exact Mass331.96
IUPAC Name2,6-dichloro-N-(2,2-difluoroethyl)-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC(F)F)c1Cl
InChIInChI=1S/C9H8Cl2F2N2O3S/c10-4-1-2-5(19(14,17)18)8(11)7(4)9(16)15-3-6(12)13/h1-2,6H,3H2,(H,15,16)(H2,14,17,18)
InChIKeyISTRZBXMLBHCDQ-UHFFFAOYSA-N
XLogP1.64
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.14
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-(2,2-difluoroethyl)-5-sulfamoylbenzamide
CID 79140385
2,4-dichloro-3-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 65370091
5-chloro-N-(2,2-difluoroethyl)-2-methoxy-3-sulfamoylbenzamide
CID 115408938
2,6-dichloro-N-ethyl-N-propyl-3-sulfamoylbenzamide
CID 65387936
4-methylpentan-2-yl 2,6-dichloro-3-sulfamoylbenzoate
CID 65379835
2,6-dichloro-N-(3-methylcyclopentyl)-3-sulfamoylbenzamide
CID 114551555
5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide
CID 79079697
N-(2,2-difluoroethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 115408908
4-methylpentyl 2,6-dichloro-3-sulfamoylbenzoate
CID 65381474
N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide
CID 104917965
3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide
CID 103737133
2,6-difluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide
CID 65387884

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2,2-difluoroethyl)-3-sulfamoylbenzamide?
The IUPAC name of 2,6-dichloro-N-(2,2-difluoroethyl)-3-sulfamoylbenzamide (CID 115408900) is 2,6-dichloro-N-(2,2-difluoroethyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 2,6-dichloro-N-(2,2-difluoroethyl)-3-sulfamoylbenzamide?
The canonical SMILES for 2,6-dichloro-N-(2,2-difluoroethyl)-3-sulfamoylbenzamide is NS(=O)(=O)c1ccc(Cl)c(C(=O)NCC(F)F)c1Cl.
What is the InChIKey of 2,6-dichloro-N-(2,2-difluoroethyl)-3-sulfamoylbenzamide?
The InChIKey is ISTRZBXMLBHCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2F2N2O3S/c10-4-1-2-5(19(14,17)18)8(11)7(4)9(16)15-3-6(12)13/h1-2,6H,3H2,(H,15,16)(H2,14,17,18).
What are the key properties of 2,6-dichloro-N-(2,2-difluoroethyl)-3-sulfamoylbenzamide?
2,6-dichloro-N-(2,2-difluoroethyl)-3-sulfamoylbenzamide has a molecular weight of 333.14 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2,2-difluoroethyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 115408900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).