2,3-difluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide

C12H10F2N2O3S2 — CID 62662253

IUPAC2,3-difluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cccc(F)c2F)s1
InChIInChI=1S/C12H10F2N2O3S2/c13-9-3-1-2-8(11(9)14)12(17)16-6-7-4-5-10(20-7)21(15,18)19/h1-5H,6H2,(H,16,17)(H2,15,18,19)
InChIKeyLCRMQYOOKBRTQN-UHFFFAOYSA-N
MW332.35 g/mol
LogP1.60
Rot. Bonds4

About 2,3-difluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide

2,3-difluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide (PubChem CID 62662253) has the molecular formula C12H10F2N2O3S2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 2,3-difluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
PubChem CID62662253
Molecular FormulaC12H10F2N2O3S2
Molecular Weight332.35 g/mol
Exact Mass332.01
IUPAC Name2,3-difluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cccc(F)c2F)s1
InChIInChI=1S/C12H10F2N2O3S2/c13-9-3-1-2-8(11(9)14)12(17)16-6-7-4-5-10(20-7)21(15,18)19/h1-5H,6H2,(H,16,17)(H2,15,18,19)
InChIKeyLCRMQYOOKBRTQN-UHFFFAOYSA-N
XLogP1.60
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-fluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242545
2-(2-chloro-6-fluorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 18229081
2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242454
2-(phenoxymethyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 24645763
2-hydroxy-5-iodo-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 103600269
3,5-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242455
3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 107519560
3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 47246546
3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzamide
CID 106544261
3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62339651
1-[(2-fluorophenyl)methyl]-2-methyl-3-[(5-sulfamoylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111264556
4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 47004961

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 2,3-difluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide (CID 62662253) is 2,3-difluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide is NS(=O)(=O)c1ccc(CNC(=O)c2cccc(F)c2F)s1.
What is the InChIKey of 2,3-difluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide?
The InChIKey is LCRMQYOOKBRTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O3S2/c13-9-3-1-2-8(11(9)14)12(17)16-6-7-4-5-10(20-7)21(15,18)19/h1-5H,6H2,(H,16,17)(H2,15,18,19).
What are the key properties of 2,3-difluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide?
2,3-difluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide has a molecular weight of 332.35 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 62662253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).