4-[[(2,5-dichlorophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide

C16H16Cl2N2O3S — CID 26542014

IUPAC4-[[(2,5-dichlorophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O3S/c1-19-16(21)12-5-3-11(4-6-12)10-20(2)24(22,23)15-9-13(17)7-8-14(15)18/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyMBMFCXZQOKFGTB-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.17
Rot. Bonds5

About 4-[[(2,5-dichlorophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide

4-[[(2,5-dichlorophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide (PubChem CID 26542014) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is 4-[[(2,5-dichlorophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(2,5-dichlorophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
PubChem CID26542014
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC Name4-[[(2,5-dichlorophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O3S/c1-19-16(21)12-5-3-11(4-6-12)10-20(2)24(22,23)15-9-13(17)7-8-14(15)18/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyMBMFCXZQOKFGTB-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 24679062
4-[[(2,4-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 26542020
4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 51249500
4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 26541994
4-[[2-(2,5-dichlorophenoxy)ethyl-methylamino]methyl]-N-methylbenzamide
CID 112797194
N-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide
CID 26541999
4-[[2-(2,5-dichlorophenyl)sulfanylethyl-methylamino]methyl]-N-methylbenzamide
CID 9124097
4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 47371529
N-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzamide
CID 112684258
4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide
CID 24525671
2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 4789845
N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide
CID 26542056

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,5-dichlorophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(2,5-dichlorophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide (CID 26542014) is 4-[[(2,5-dichlorophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(2,5-dichlorophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(2,5-dichlorophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 4-[[(2,5-dichlorophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide?
The InChIKey is MBMFCXZQOKFGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c1-19-16(21)12-5-3-11(4-6-12)10-20(2)24(22,23)15-9-13(17)7-8-14(15)18/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 4-[[(2,5-dichlorophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide?
4-[[(2,5-dichlorophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide has a molecular weight of 387.29 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,5-dichlorophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 26542014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).