3,4-dichloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide

C17H18Cl2N2O3S — CID 9050460

IUPAC3,4-dichloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C17H18Cl2N2O3S/c1-10-7-13(25(23,24)21(3)4)9-16(11(10)2)20-17(22)12-5-6-14(18)15(19)8-12/h5-9H,1-4H3,(H,20,22)
InChIKeyKVJUOHCWHIEDDZ-UHFFFAOYSA-N
MW401.32 g/mol
LogP4.11
Rot. Bonds4

About 3,4-dichloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide

3,4-dichloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide (PubChem CID 9050460) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is 3,4-dichloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide
PubChem CID9050460
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC Name3,4-dichloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C17H18Cl2N2O3S/c1-10-7-13(25(23,24)21(3)4)9-16(11(10)2)20-17(22)12-5-6-14(18)15(19)8-12/h5-9H,1-4H3,(H,20,22)
InChIKeyKVJUOHCWHIEDDZ-UHFFFAOYSA-N
XLogP4.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide
CID 16564311
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethylbenzamide
CID 27832740
3,4-dichloro-N-(2-methyl-5-methylsulfonylphenyl)benzamide
CID 27990929
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-4-(2-methylpropanoylamino)benzamide
CID 39098073
4-bromo-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethoxybenzamide
CID 26978285
2-(2,4-dichlorophenyl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 27832730
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-cyanobenzamide
CID 5218436
N-(5-acetamido-2-chlorophenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 55917241
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 4250932
N-(5-acetyl-2-methylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 110618400
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]quinoline-4-carboxamide
CID 78812993
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 34234365

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide (CID 9050460) is 3,4-dichloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide is Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccc(Cl)c(Cl)c2)c1C.
What is the InChIKey of 3,4-dichloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide?
The InChIKey is KVJUOHCWHIEDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-10-7-13(25(23,24)21(3)4)9-16(11(10)2)20-17(22)12-5-6-14(18)15(19)8-12/h5-9H,1-4H3,(H,20,22).
What are the key properties of 3,4-dichloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide?
3,4-dichloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide has a molecular weight of 401.32 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide is sourced from PubChem (CID 9050460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).