N-benzyl-3-(3-chlorophenyl)sulfonyl-N-methylpropanamide

C17H18ClNO3S — CID 110409524

IUPACN-benzyl-3-(3-chlorophenyl)sulfonyl-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO3S/c1-19(13-14-6-3-2-4-7-14)17(20)10-11-23(21,22)16-9-5-8-15(18)12-16/h2-9,12H,10-11,13H2,1H3
InChIKeyLYSYAEBSUROHMV-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.16
Rot. Bonds6

About N-benzyl-3-(3-chlorophenyl)sulfonyl-N-methylpropanamide

N-benzyl-3-(3-chlorophenyl)sulfonyl-N-methylpropanamide (PubChem CID 110409524) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-benzyl-3-(3-chlorophenyl)sulfonyl-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(3-chlorophenyl)sulfonyl-N-methylpropanamide
PubChem CID110409524
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC NameN-benzyl-3-(3-chlorophenyl)sulfonyl-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO3S/c1-19(13-14-6-3-2-4-7-14)17(20)10-11-23(21,22)16-9-5-8-15(18)12-16/h2-9,12H,10-11,13H2,1H3
InChIKeyLYSYAEBSUROHMV-UHFFFAOYSA-N
XLogP3.16
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 9440257
N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methylpropanamide
CID 34284353
N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-methylacetamide
CID 1203987
N-benzyl-N-methyl-3-[methyl(phenyl)sulfamoyl]propanamide
CID 110342924
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 92675301
N-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide
CID 22300743
3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 51162789
2-[benzyl-(3-chlorophenyl)sulfonylamino]-N,N-diethylacetamide
CID 7917886
4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559058
4-[[3-(4-chlorophenyl)sulfonylpropanoyl-methylamino]methyl]-N-methylbenzamide
CID 8964829
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3-chlorophenyl)sulfonyl-N-methylpropanamide?
The IUPAC name of N-benzyl-3-(3-chlorophenyl)sulfonyl-N-methylpropanamide (CID 110409524) is N-benzyl-3-(3-chlorophenyl)sulfonyl-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-(3-chlorophenyl)sulfonyl-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-(3-chlorophenyl)sulfonyl-N-methylpropanamide is CN(Cc1ccccc1)C(=O)CCS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of N-benzyl-3-(3-chlorophenyl)sulfonyl-N-methylpropanamide?
The InChIKey is LYSYAEBSUROHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-19(13-14-6-3-2-4-7-14)17(20)10-11-23(21,22)16-9-5-8-15(18)12-16/h2-9,12H,10-11,13H2,1H3.
What are the key properties of N-benzyl-3-(3-chlorophenyl)sulfonyl-N-methylpropanamide?
N-benzyl-3-(3-chlorophenyl)sulfonyl-N-methylpropanamide has a molecular weight of 351.86 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3-chlorophenyl)sulfonyl-N-methylpropanamide is sourced from PubChem (CID 110409524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).