4-bromo-2-fluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide

C12H10BrFN2O3S2 — CID 43242545

IUPAC4-bromo-2-fluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc(Br)cc2F)s1
InChIInChI=1S/C12H10BrFN2O3S2/c13-7-1-3-9(10(14)5-7)12(17)16-6-8-2-4-11(20-8)21(15,18)19/h1-5H,6H2,(H,16,17)(H2,15,18,19)
InChIKeyALVDSQXFFLPLPO-UHFFFAOYSA-N
MW393.26 g/mol
LogP2.23
Rot. Bonds4

About 4-bromo-2-fluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide

4-bromo-2-fluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide (PubChem CID 43242545) has the molecular formula C12H10BrFN2O3S2 and a molecular weight of 393.26 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
PubChem CID43242545
Molecular FormulaC12H10BrFN2O3S2
Molecular Weight393.26 g/mol
Exact Mass391.93
IUPAC Name4-bromo-2-fluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc(Br)cc2F)s1
InChIInChI=1S/C12H10BrFN2O3S2/c13-7-1-3-9(10(14)5-7)12(17)16-6-8-2-4-11(20-8)21(15,18)19/h1-5H,6H2,(H,16,17)(H2,15,18,19)
InChIKeyALVDSQXFFLPLPO-UHFFFAOYSA-N
XLogP2.23
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-difluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 62662253
5-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62958487
2-hydroxy-5-iodo-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 103600269
3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 47246546
5-[[(2-bromo-5-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43362991
4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-fluorobenzamide
CID 78986020
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
4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 47004961
4-bromo-2-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577900
2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242454
5-bromo-2-hydroxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 32741753

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide (CID 43242545) is 4-bromo-2-fluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide is NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Br)cc2F)s1.
What is the InChIKey of 4-bromo-2-fluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide?
The InChIKey is ALVDSQXFFLPLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O3S2/c13-7-1-3-9(10(14)5-7)12(17)16-6-8-2-4-11(20-8)21(15,18)19/h1-5H,6H2,(H,16,17)(H2,15,18,19).
What are the key properties of 4-bromo-2-fluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide?
4-bromo-2-fluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide has a molecular weight of 393.26 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 43242545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).