2,3-difluoro-4-[(3-sulfamoylpropanoylamino)methyl]benzamide

C11H13F2N3O4S — CID 144743988

IUPAC2,3-difluoro-4-[(3-sulfamoylpropanoylamino)methyl]benzamide
SMILESNC(=O)c1ccc(CNC(=O)CCS(N)(=O)=O)c(F)c1F
InChIInChI=1S/C11H13F2N3O4S/c12-9-6(1-2-7(10(9)13)11(14)18)5-16-8(17)3-4-21(15,19)20/h1-2H,3-5H2,(H2,14,18)(H,16,17)(H2,15,19,20)
InChIKeyYRVZWGZQZYOFKC-UHFFFAOYSA-N
MW321.31 g/mol
LogP-0.64
Rot. Bonds6

About 2,3-difluoro-4-[(3-sulfamoylpropanoylamino)methyl]benzamide

2,3-difluoro-4-[(3-sulfamoylpropanoylamino)methyl]benzamide (PubChem CID 144743988) has the molecular formula C11H13F2N3O4S and a molecular weight of 321.31 g/mol. Its IUPAC name is 2,3-difluoro-4-[(3-sulfamoylpropanoylamino)methyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-4-[(3-sulfamoylpropanoylamino)methyl]benzamide
PubChem CID144743988
Molecular FormulaC11H13F2N3O4S
Molecular Weight321.31 g/mol
Exact Mass321.06
IUPAC Name2,3-difluoro-4-[(3-sulfamoylpropanoylamino)methyl]benzamide
SMILESNC(=O)c1ccc(CNC(=O)CCS(N)(=O)=O)c(F)c1F
InChIInChI=1S/C11H13F2N3O4S/c12-9-6(1-2-7(10(9)13)11(14)18)5-16-8(17)3-4-21(15,19)20/h1-2H,3-5H2,(H2,14,18)(H,16,17)(H2,15,19,20)
InChIKeyYRVZWGZQZYOFKC-UHFFFAOYSA-N
XLogP-0.64
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2-cyanoacetyl)amino]methyl]-2,3-difluorobenzamide
CID 144743980
2,3-difluoro-4-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 141369270
2,3-difluoro-4-[[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]amino]methyl]benzamide
CID 141369274
6-amino-N-[(2,3,4-trifluorophenyl)methyl]hexanamide
CID 110482622
3-methoxy-N-[(2,3,4-trifluorophenyl)methyl]propanamide
CID 110480436
N-[(2,3,4-trifluorophenyl)methyl]propanamide
CID 110477463
N-[(2-fluorophenyl)methyl]-3-(2-fluorophenyl)sulfonylpropanamide
CID 17420018
3-(2-fluorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]propanamide
CID 9489077
3-fluoro-4-[(4-methylsulfonylbutanoylamino)methyl]benzoic acid
CID 146135765
4-[(2S)-3-amino-2-(dimethylamino)propyl]-2,3-difluorobenzamide
CID 165405448
4-[[3-(4-bromo-2-fluorophenyl)propanoylamino]methyl]benzamide
CID 51127668
N-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide
CID 123262796

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[(3-sulfamoylpropanoylamino)methyl]benzamide?
The IUPAC name of 2,3-difluoro-4-[(3-sulfamoylpropanoylamino)methyl]benzamide (CID 144743988) is 2,3-difluoro-4-[(3-sulfamoylpropanoylamino)methyl]benzamide.
What is the SMILES notation for 2,3-difluoro-4-[(3-sulfamoylpropanoylamino)methyl]benzamide?
The canonical SMILES for 2,3-difluoro-4-[(3-sulfamoylpropanoylamino)methyl]benzamide is NC(=O)c1ccc(CNC(=O)CCS(N)(=O)=O)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-[(3-sulfamoylpropanoylamino)methyl]benzamide?
The InChIKey is YRVZWGZQZYOFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O4S/c12-9-6(1-2-7(10(9)13)11(14)18)5-16-8(17)3-4-21(15,19)20/h1-2H,3-5H2,(H2,14,18)(H,16,17)(H2,15,19,20).
What are the key properties of 2,3-difluoro-4-[(3-sulfamoylpropanoylamino)methyl]benzamide?
2,3-difluoro-4-[(3-sulfamoylpropanoylamino)methyl]benzamide has a molecular weight of 321.31 g/mol, XLogP of -0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[(3-sulfamoylpropanoylamino)methyl]benzamide is sourced from PubChem (CID 144743988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).