3,4-dichloro-N-(2-methyl-5-methylsulfonylphenyl)benzamide

C15H13Cl2NO3S — CID 27990929

IUPAC3,4-dichloro-N-(2-methyl-5-methylsulfonylphenyl)benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO3S/c1-9-3-5-11(22(2,20)21)8-14(9)18-15(19)10-4-6-12(16)13(17)7-10/h3-8H,1-2H3,(H,18,19)
InChIKeyNXICFJZPYCWONA-UHFFFAOYSA-N
MW358.25 g/mol
LogP3.96
Rot. Bonds3

About 3,4-dichloro-N-(2-methyl-5-methylsulfonylphenyl)benzamide

3,4-dichloro-N-(2-methyl-5-methylsulfonylphenyl)benzamide (PubChem CID 27990929) has the molecular formula C15H13Cl2NO3S and a molecular weight of 358.25 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-methyl-5-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-methyl-5-methylsulfonylphenyl)benzamide
PubChem CID27990929
Molecular FormulaC15H13Cl2NO3S
Molecular Weight358.25 g/mol
Exact Mass357.00
IUPAC Name3,4-dichloro-N-(2-methyl-5-methylsulfonylphenyl)benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO3S/c1-9-3-5-11(22(2,20)21)8-14(9)18-15(19)10-4-6-12(16)13(17)7-10/h3-8H,1-2H3,(H,18,19)
InChIKeyNXICFJZPYCWONA-UHFFFAOYSA-N
XLogP3.96
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide
CID 9050460
N-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide
CID 8913728
N-(2-chloro-5-methylsulfonylphenyl)benzamide
CID 8913636
4-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 100786432
N-(2-chloro-5-methylsulfonylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973961
4-chloro-N-(2-methyl-5-sulfamoylphenyl)-3-nitrobenzamide
CID 4547924
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide
CID 18284846
N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide
CID 104667459
N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41453282
4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride
CID 63195185
3-chloro-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 5211673
N-(2-chloro-5-methylsulfonylphenyl)-6-methylpyridine-2-carboxamide
CID 31930381

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-methyl-5-methylsulfonylphenyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(2-methyl-5-methylsulfonylphenyl)benzamide (CID 27990929) is 3,4-dichloro-N-(2-methyl-5-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2-methyl-5-methylsulfonylphenyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2-methyl-5-methylsulfonylphenyl)benzamide is Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2-methyl-5-methylsulfonylphenyl)benzamide?
The InChIKey is NXICFJZPYCWONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3S/c1-9-3-5-11(22(2,20)21)8-14(9)18-15(19)10-4-6-12(16)13(17)7-10/h3-8H,1-2H3,(H,18,19).
What are the key properties of 3,4-dichloro-N-(2-methyl-5-methylsulfonylphenyl)benzamide?
3,4-dichloro-N-(2-methyl-5-methylsulfonylphenyl)benzamide has a molecular weight of 358.25 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-methyl-5-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 27990929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).