4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-sulfamoylbenzamide

C13H12Cl2N2O3S2 — CID 9107639

IUPAC4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-sulfamoylbenzamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C13H12Cl2N2O3S2/c1-17(7-9-3-5-12(15)21-9)13(18)8-2-4-10(14)11(6-8)22(16,19)20/h2-6H,7H2,1H3,(H2,16,19,20)
InChIKeyBVTRTORFHVEZRG-UHFFFAOYSA-N
MW379.29 g/mol
LogP2.97
Rot. Bonds4

About 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-sulfamoylbenzamide

4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-sulfamoylbenzamide (PubChem CID 9107639) has the molecular formula C13H12Cl2N2O3S2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-sulfamoylbenzamide
PubChem CID9107639
Molecular FormulaC13H12Cl2N2O3S2
Molecular Weight379.29 g/mol
Exact Mass377.97
IUPAC Name4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-sulfamoylbenzamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C13H12Cl2N2O3S2/c1-17(7-9-3-5-12(15)21-9)13(18)8-2-4-10(14)11(6-8)22(16,19)20/h2-6H,7H2,1H3,(H2,16,19,20)
InChIKeyBVTRTORFHVEZRG-UHFFFAOYSA-N
XLogP2.97
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-N-methylbenzamide
CID 61116554
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 54906056
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 17433061
N-[(5-chlorothiophen-2-yl)methyl]-4-(ethylsulfamoyl)-N-methylbenzamide
CID 9107610
N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 39735566
4-chloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-sulfamoylbenzamide
CID 9493763
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(propylamino)benzamide
CID 62179777
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62179610
3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 29214137
N-[(5-chlorothiophen-2-yl)methyl]-3-[methoxy(methyl)sulfamoyl]-N-methylbenzamide
CID 9375200
N-[(5-chlorothiophen-2-yl)methyl]-3-fluoro-N-methyl-4-nitrobenzamide
CID 62680930

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-sulfamoylbenzamide (CID 9107639) is 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-sulfamoylbenzamide is CN(Cc1ccc(Cl)s1)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-sulfamoylbenzamide?
The InChIKey is BVTRTORFHVEZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3S2/c1-17(7-9-3-5-12(15)21-9)13(18)8-2-4-10(14)11(6-8)22(16,19)20/h2-6H,7H2,1H3,(H2,16,19,20).
What are the key properties of 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-sulfamoylbenzamide?
4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-sulfamoylbenzamide has a molecular weight of 379.29 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 9107639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).