2,4-dichloro-N-(2,2-difluoroethyl)-5-sulfamoylbenzamide

C9H8Cl2F2N2O3S — CID 79140385

IUPAC2,4-dichloro-N-(2,2-difluoroethyl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCC(F)F)c(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2F2N2O3S/c10-5-2-6(11)7(19(14,17)18)1-4(5)9(16)15-3-8(12)13/h1-2,8H,3H2,(H,15,16)(H2,14,17,18)
InChIKeyQQNZZSSEQIUVKU-UHFFFAOYSA-N
MW333.14 g/mol
LogP1.64
Rot. Bonds4

About 2,4-dichloro-N-(2,2-difluoroethyl)-5-sulfamoylbenzamide

2,4-dichloro-N-(2,2-difluoroethyl)-5-sulfamoylbenzamide (PubChem CID 79140385) has the molecular formula C9H8Cl2F2N2O3S and a molecular weight of 333.14 g/mol. Its IUPAC name is 2,4-dichloro-N-(2,2-difluoroethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2,2-difluoroethyl)-5-sulfamoylbenzamide
PubChem CID79140385
Molecular FormulaC9H8Cl2F2N2O3S
Molecular Weight333.14 g/mol
Exact Mass331.96
IUPAC Name2,4-dichloro-N-(2,2-difluoroethyl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCC(F)F)c(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2F2N2O3S/c10-5-2-6(11)7(19(14,17)18)1-4(5)9(16)15-3-8(12)13/h1-2,8H,3H2,(H,15,16)(H2,14,17,18)
InChIKeyQQNZZSSEQIUVKU-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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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2,2-difluoroethyl)-5-sulfamoylbenzamide?
The IUPAC name of 2,4-dichloro-N-(2,2-difluoroethyl)-5-sulfamoylbenzamide (CID 79140385) is 2,4-dichloro-N-(2,2-difluoroethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(2,2-difluoroethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(2,2-difluoroethyl)-5-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NCC(F)F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2,2-difluoroethyl)-5-sulfamoylbenzamide?
The InChIKey is QQNZZSSEQIUVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2F2N2O3S/c10-5-2-6(11)7(19(14,17)18)1-4(5)9(16)15-3-8(12)13/h1-2,8H,3H2,(H,15,16)(H2,14,17,18).
What are the key properties of 2,4-dichloro-N-(2,2-difluoroethyl)-5-sulfamoylbenzamide?
2,4-dichloro-N-(2,2-difluoroethyl)-5-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 2,4-dichloro-N-(2,2-difluoroethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 79140385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).