3,4-dichloro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide

C9H7Cl2F3N2O3S — CID 65374285

IUPAC3,4-dichloro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)cc(Cl)c1Cl
InChIInChI=1S/C9H7Cl2F3N2O3S/c10-5-1-4(8(17)16-3-9(12,13)14)2-6(7(5)11)20(15,18)19/h1-2H,3H2,(H,16,17)(H2,15,18,19)
InChIKeyAOQFQAKAUFHDTN-UHFFFAOYSA-N
MW351.13 g/mol
LogP1.93
Rot. Bonds3

About 3,4-dichloro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide

3,4-dichloro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 65374285) has the molecular formula C9H7Cl2F3N2O3S and a molecular weight of 351.13 g/mol. Its IUPAC name is 3,4-dichloro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID65374285
Molecular FormulaC9H7Cl2F3N2O3S
Molecular Weight351.13 g/mol
Exact Mass349.95
IUPAC Name3,4-dichloro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)cc(Cl)c1Cl
InChIInChI=1S/C9H7Cl2F3N2O3S/c10-5-1-4(8(17)16-3-9(12,13)14)2-6(7(5)11)20(15,18)19/h1-2H,3H2,(H,16,17)(H2,15,18,19)
InChIKeyAOQFQAKAUFHDTN-UHFFFAOYSA-N
XLogP1.93
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.13
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide
CID 103465720
4-bromo-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65374272
3,4-dichloro-N-(1-methylcyclopropyl)-5-sulfamoylbenzamide
CID 113486130
2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 65371621
5-chloro-2-fluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65373130
4-chloro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide
CID 104766737
3,4-dichloro-N-propan-2-yl-5-sulfamoylbenzamide
CID 65375550
2-chloro-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 81453681
3,4-dichloro-N-cyclopentyl-5-sulfamoylbenzamide
CID 65375967
3-nitro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65374277
3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide
CID 65375338
2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 43523684

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3,4-dichloro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide (CID 65374285) is 3,4-dichloro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3,4-dichloro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3,4-dichloro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide is NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)cc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is AOQFQAKAUFHDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2F3N2O3S/c10-5-1-4(8(17)16-3-9(12,13)14)2-6(7(5)11)20(15,18)19/h1-2H,3H2,(H,16,17)(H2,15,18,19).
What are the key properties of 3,4-dichloro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
3,4-dichloro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 351.13 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 65374285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).