2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide

C12H10Cl2N2O3S2 — CID 43242454

IUPAC2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2c(Cl)cccc2Cl)s1
InChIInChI=1S/C12H10Cl2N2O3S2/c13-8-2-1-3-9(14)11(8)12(17)16-6-7-4-5-10(20-7)21(15,18)19/h1-5H,6H2,(H,16,17)(H2,15,18,19)
InChIKeyPETNJSWMSLWKHU-UHFFFAOYSA-N
MW365.26 g/mol
LogP2.63
Rot. Bonds4

About 2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide

2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide (PubChem CID 43242454) has the molecular formula C12H10Cl2N2O3S2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
PubChem CID43242454
Molecular FormulaC12H10Cl2N2O3S2
Molecular Weight365.26 g/mol
Exact Mass363.95
IUPAC Name2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2c(Cl)cccc2Cl)s1
InChIInChI=1S/C12H10Cl2N2O3S2/c13-8-2-1-3-9(14)11(8)12(17)16-6-7-4-5-10(20-7)21(15,18)19/h1-5H,6H2,(H,16,17)(H2,15,18,19)
InChIKeyPETNJSWMSLWKHU-UHFFFAOYSA-N
XLogP2.63
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 18229081
3-chloro-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 80642639
3,5-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242455
2,3-difluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 62662253
4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 47004961
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
5-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62958487
3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62339651
3-(4-chlorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 166189748
2-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 47445414
N-[(5-sulfamoylthiophen-2-yl)methyl]pyrazine-2-carboxamide
CID 47099016

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide (CID 43242454) is 2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide is NS(=O)(=O)c1ccc(CNC(=O)c2c(Cl)cccc2Cl)s1.
What is the InChIKey of 2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide?
The InChIKey is PETNJSWMSLWKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O3S2/c13-8-2-1-3-9(14)11(8)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 2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide?
2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide has a molecular weight of 365.26 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 43242454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).