2,4-difluoro-N-(2-methylsulfinylethyl)-5-sulfamoylbenzamide

C10H12F2N2O4S2 — CID 113480656

IUPAC2,4-difluoro-N-(2-methylsulfinylethyl)-5-sulfamoylbenzamide
SMILESCS(=O)CCNC(=O)c1cc(S(N)(=O)=O)c(F)cc1F
InChIInChI=1S/C10H12F2N2O4S2/c1-19(16)3-2-14-10(15)6-4-9(20(13,17)18)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,17,18)
InChIKeyCBFFMJZGMYYNNS-UHFFFAOYSA-N
MW326.35 g/mol
LogP-0.28
Rot. Bonds5

About 2,4-difluoro-N-(2-methylsulfinylethyl)-5-sulfamoylbenzamide

2,4-difluoro-N-(2-methylsulfinylethyl)-5-sulfamoylbenzamide (PubChem CID 113480656) has the molecular formula C10H12F2N2O4S2 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-methylsulfinylethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(2-methylsulfinylethyl)-5-sulfamoylbenzamide
PubChem CID113480656
Molecular FormulaC10H12F2N2O4S2
Molecular Weight326.35 g/mol
Exact Mass326.02
IUPAC Name2,4-difluoro-N-(2-methylsulfinylethyl)-5-sulfamoylbenzamide
SMILESCS(=O)CCNC(=O)c1cc(S(N)(=O)=O)c(F)cc1F
InChIInChI=1S/C10H12F2N2O4S2/c1-19(16)3-2-14-10(15)6-4-9(20(13,17)18)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,17,18)
InChIKeyCBFFMJZGMYYNNS-UHFFFAOYSA-N
XLogP-0.28
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2,4-difluoro-N-(3-methylsulfinylpropyl)benzamide
CID 113487107
N-tert-butyl-2,4-difluoro-5-sulfamoylbenzamide
CID 65375638
2-fluoro-4-methyl-N-(2-methylsulfinylethyl)benzamide
CID 115678998
4-bromo-2-fluoro-N-(3-methylbutyl)-5-sulfamoylbenzamide
CID 65374809
2-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65375166
2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65373631
N-ethyl-2,4-difluoro-N-methyl-5-sulfamoylbenzamide
CID 65375226
4-fluoro-N-(3-methylsulfinylbutyl)-3-sulfamoylbenzamide
CID 115729437
N-(2-methylsulfinylethyl)-5-sulfamoylthiophene-3-carboxamide
CID 115631261
3-fluoro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 115646483
5-amino-2,4-difluoro-N-(2-sulfamoylethyl)benzamide
CID 61094642
4-chloro-N-(2,2-dimethylbutyl)-2-fluoro-5-sulfamoylbenzamide
CID 103465691

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-methylsulfinylethyl)-5-sulfamoylbenzamide?
The IUPAC name of 2,4-difluoro-N-(2-methylsulfinylethyl)-5-sulfamoylbenzamide (CID 113480656) is 2,4-difluoro-N-(2-methylsulfinylethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2,4-difluoro-N-(2-methylsulfinylethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2,4-difluoro-N-(2-methylsulfinylethyl)-5-sulfamoylbenzamide is CS(=O)CCNC(=O)c1cc(S(N)(=O)=O)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(2-methylsulfinylethyl)-5-sulfamoylbenzamide?
The InChIKey is CBFFMJZGMYYNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O4S2/c1-19(16)3-2-14-10(15)6-4-9(20(13,17)18)8(12)5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)(H2,13,17,18).
What are the key properties of 2,4-difluoro-N-(2-methylsulfinylethyl)-5-sulfamoylbenzamide?
2,4-difluoro-N-(2-methylsulfinylethyl)-5-sulfamoylbenzamide has a molecular weight of 326.35 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(2-methylsulfinylethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 113480656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).