N-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide

C16H16Cl2N2O3S — CID 31144744

IUPACN-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C16H16Cl2N2O3S/c1-20(10-12-6-4-8-14(17)15(12)18)16(21)11-5-3-7-13(9-11)19-24(2,22)23/h3-9,19H,10H2,1-2H3
InChIKeyXZRGPSPLUPAXTD-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.64
Rot. Bonds5

About N-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide

N-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide (PubChem CID 31144744) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
PubChem CID31144744
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C16H16Cl2N2O3S/c1-20(10-12-6-4-8-14(17)15(12)18)16(21)11-5-3-7-13(9-11)19-24(2,22)23/h3-9,19H,10H2,1-2H3
InChIKeyXZRGPSPLUPAXTD-UHFFFAOYSA-N
XLogP3.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 18112138
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide
CID 7677286
3-(methanesulfonamido)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 24673390
3-(cyclopentylsulfamoyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 46577867
N-[(2-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide
CID 24544336
4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 38047200
3-amino-N-[(2,3-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60938036
N-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 31470074
N-(cyclopentylmethyl)-3-(methanesulfonamido)-N-methylbenzamide
CID 52793258
4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60937647
N-[2-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 18119830

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide (CID 31144744) is N-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide is CN(Cc1cccc(Cl)c1Cl)C(=O)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide?
The InChIKey is XZRGPSPLUPAXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c1-20(10-12-6-4-8-14(17)15(12)18)16(21)11-5-3-7-13(9-11)19-24(2,22)23/h3-9,19H,10H2,1-2H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide?
N-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide has a molecular weight of 387.29 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide is sourced from PubChem (CID 31144744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).