N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide

C16H15Cl2NO3S — CID 31988550

IUPACN-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO3S/c1-19(10-12-2-4-13(17)5-3-12)16(20)11-23(21,22)15-8-6-14(18)7-9-15/h2-9H,10-11H2,1H3
InChIKeyCJBYTWITFZXCKN-UHFFFAOYSA-N
MW372.27 g/mol
LogP3.43
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide

N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide (PubChem CID 31988550) has the molecular formula C16H15Cl2NO3S and a molecular weight of 372.27 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide
PubChem CID31988550
Molecular FormulaC16H15Cl2NO3S
Molecular Weight372.27 g/mol
Exact Mass371.01
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO3S/c1-19(10-12-2-4-13(17)5-3-12)16(20)11-23(21,22)15-8-6-14(18)7-9-15/h2-9H,10-11H2,1H3
InChIKeyCJBYTWITFZXCKN-UHFFFAOYSA-N
XLogP3.43
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide
CID 34391326
2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 112779738
4-[[3-(4-chlorophenyl)sulfonylpropanoyl-methylamino]methyl]-N-methylbenzamide
CID 8964829
3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231249
3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
N-[(4-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 26048426
2-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 34441922
N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 1329406
N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide
CID 112790205
N-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 26594048
2-(4-chlorophenyl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide
CID 18124124

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide (CID 31988550) is N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide is CN(Cc1ccc(Cl)cc1)C(=O)CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide?
The InChIKey is CJBYTWITFZXCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3S/c1-19(10-12-2-4-13(17)5-3-12)16(20)11-23(21,22)15-8-6-14(18)7-9-15/h2-9H,10-11H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide?
N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide has a molecular weight of 372.27 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide is sourced from PubChem (CID 31988550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).