2-fluoro-N-(3-sulfamoylphenyl)-3,4-bis(trifluoromethyl)benzamide

C15H9F7N2O3S — CID 174965903

IUPAC2-fluoro-N-(3-sulfamoylphenyl)-3,4-bis(trifluoromethyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)c(C(F)(F)F)c2F)c1
InChIInChI=1S/C15H9F7N2O3S/c16-12-9(4-5-10(14(17,18)19)11(12)15(20,21)22)13(25)24-7-2-1-3-8(6-7)28(23,26)27/h1-6H,(H,24,25)(H2,23,26,27)
InChIKeyQMVFUAHCBJIMJG-UHFFFAOYSA-N
MW430.30 g/mol
LogP3.76
Rot. Bonds3

About 2-fluoro-N-(3-sulfamoylphenyl)-3,4-bis(trifluoromethyl)benzamide

2-fluoro-N-(3-sulfamoylphenyl)-3,4-bis(trifluoromethyl)benzamide (PubChem CID 174965903) has the molecular formula C15H9F7N2O3S and a molecular weight of 430.30 g/mol. Its IUPAC name is 2-fluoro-N-(3-sulfamoylphenyl)-3,4-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-sulfamoylphenyl)-3,4-bis(trifluoromethyl)benzamide
PubChem CID174965903
Molecular FormulaC15H9F7N2O3S
Molecular Weight430.30 g/mol
Exact Mass430.02
IUPAC Name2-fluoro-N-(3-sulfamoylphenyl)-3,4-bis(trifluoromethyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)c(C(F)(F)F)c2F)c1
InChIInChI=1S/C15H9F7N2O3S/c16-12-9(4-5-10(14(17,18)19)11(12)15(20,21)22)13(25)24-7-2-1-3-8(6-7)28(23,26)27/h1-6H,(H,24,25)(H2,23,26,27)
InChIKeyQMVFUAHCBJIMJG-UHFFFAOYSA-N
XLogP3.76
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-(3-sulfamoylphenyl)benzamide
CID 103885203
2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide
CID 90467902
2-(3-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide
CID 90466610
2,5-dihydroxy-N-(3-sulfamoylphenyl)benzamide
CID 107722283
1-(3-fluorophenyl)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 90887523
2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide
CID 90466612
2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 115539982
2-[3-fluoro-4-(hydroxymethyl)phenoxy]-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide
CID 121369825
N-(3-sulfamoylphenyl)thiophene-2-carboxamide
CID 2812289
3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide
CID 43436961
2-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide
CID 78950909
2,3-difluoro-N-(4-sulfamoylphenyl)benzamide
CID 62649490

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-sulfamoylphenyl)-3,4-bis(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-(3-sulfamoylphenyl)-3,4-bis(trifluoromethyl)benzamide (CID 174965903) is 2-fluoro-N-(3-sulfamoylphenyl)-3,4-bis(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(3-sulfamoylphenyl)-3,4-bis(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(3-sulfamoylphenyl)-3,4-bis(trifluoromethyl)benzamide is NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)c(C(F)(F)F)c2F)c1.
What is the InChIKey of 2-fluoro-N-(3-sulfamoylphenyl)-3,4-bis(trifluoromethyl)benzamide?
The InChIKey is QMVFUAHCBJIMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F7N2O3S/c16-12-9(4-5-10(14(17,18)19)11(12)15(20,21)22)13(25)24-7-2-1-3-8(6-7)28(23,26)27/h1-6H,(H,24,25)(H2,23,26,27).
What are the key properties of 2-fluoro-N-(3-sulfamoylphenyl)-3,4-bis(trifluoromethyl)benzamide?
2-fluoro-N-(3-sulfamoylphenyl)-3,4-bis(trifluoromethyl)benzamide has a molecular weight of 430.30 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-sulfamoylphenyl)-3,4-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 174965903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).