N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzamide

C16H15Cl2NO3S — CID 18081456

IUPACN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C16H15Cl2NO3S/c1-19(10-11-7-8-13(17)14(18)9-11)16(20)12-5-3-4-6-15(12)23(2,21)22/h3-9H,10H2,1-2H3
InChIKeyILVRRVQNQWQMSA-UHFFFAOYSA-N
MW372.27 g/mol
LogP3.67
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzamide

N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzamide (PubChem CID 18081456) has the molecular formula C16H15Cl2NO3S and a molecular weight of 372.27 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzamide
PubChem CID18081456
Molecular FormulaC16H15Cl2NO3S
Molecular Weight372.27 g/mol
Exact Mass371.01
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C16H15Cl2NO3S/c1-19(10-11-7-8-13(17)14(18)9-11)16(20)12-5-3-4-6-15(12)23(2,21)22/h3-9H,10H2,1-2H3
InChIKeyILVRRVQNQWQMSA-UHFFFAOYSA-N
XLogP3.67
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-propylsulfonylbenzamide
CID 39915950
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 112792499
N-methyl-2-methylsulfonyl-N-[(4-phenylphenyl)methyl]benzamide
CID 134004869
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
CID 81480668
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 61118428
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbenzamide
CID 60682669
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide
CID 35683846
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 25163379
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62510958
5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 103601901
N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N,1-dimethylpyrrole-3-carboxamide
CID 91262646
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55336076

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzamide (CID 18081456) is N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzamide?
The InChIKey is ILVRRVQNQWQMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3S/c1-19(10-11-7-8-13(17)14(18)9-11)16(20)12-5-3-4-6-15(12)23(2,21)22/h3-9H,10H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzamide?
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzamide has a molecular weight of 372.27 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzamide is sourced from PubChem (CID 18081456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).