2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide

C17H19ClN2O4S — CID 2713234

IUPAC2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C17H19ClN2O4S/c1-20(2)25(22,23)13-8-9-15(18)14(10-13)17(21)19-11-12-6-4-5-7-16(12)24-3/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyKRQLYJMDVSRECM-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.53
Rot. Bonds6

About 2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide

2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide (PubChem CID 2713234) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
PubChem CID2713234
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C17H19ClN2O4S/c1-20(2)25(22,23)13-8-9-15(18)14(10-13)17(21)19-11-12-6-4-5-7-16(12)24-3/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyKRQLYJMDVSRECM-UHFFFAOYSA-N
XLogP2.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxyphenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 7878752
2-chloro-5-[methoxy(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]benzamide
CID 9184405
2-chloro-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 46387538
2-chloro-N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2565072
N-(2-acetamidoethyl)-2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 26655839
2-chloro-N-[2-(2-methoxyphenoxy)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46558858
2-chloro-5-(dimethylsulfamoyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide
CID 24514466
2-bromo-5-(dimethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 9104218
4-[methoxy(methyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 8927243
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 2966457
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide?
The IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide (CID 2713234) is 2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide is COc1ccccc1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl.
What is the InChIKey of 2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide?
The InChIKey is KRQLYJMDVSRECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-20(2)25(22,23)13-8-9-15(18)14(10-13)17(21)19-11-12-6-4-5-7-16(12)24-3/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of 2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide?
2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide has a molecular weight of 382.87 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 2713234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).