N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide

C17H18Cl2N2O3S — CID 55347038

IUPACN-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2N2O3S/c1-12(20-25(23,24)16-9-7-15(19)8-10-16)17(22)21(2)11-13-3-5-14(18)6-4-13/h3-10,12,20H,11H2,1-2H3
InChIKeyBOMFJGZSOKRBKA-UHFFFAOYSA-N
MW401.32 g/mol
LogP3.32
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide

N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 55347038) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide
PubChem CID55347038
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2N2O3S/c1-12(20-25(23,24)16-9-7-15(19)8-10-16)17(22)21(2)11-13-3-5-14(18)6-4-13/h3-10,12,20H,11H2,1-2H3
InChIKeyBOMFJGZSOKRBKA-UHFFFAOYSA-N
XLogP3.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-hydroxy-N-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 112771116
(2S)-N-[(2-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 55943594
(2S)-N-benzyl-N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 56536513
2-acetamido-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 78768765
2-[2-[(4-chlorophenyl)sulfonylamino]propanoyl-methylamino]-2-methylpropanoic acid
CID 119200404
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpropanamide
CID 55942772
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 35419885
N-benzyl-2-(4-chloroanilino)-N-methylpropanamide
CID 78786179
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2947130
(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid
CID 51715390
(2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide
CID 41330771
N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 119383880

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide (CID 55347038) is N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide is CC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is BOMFJGZSOKRBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-12(20-25(23,24)16-9-7-15(19)8-10-16)17(22)21(2)11-13-3-5-14(18)6-4-13/h3-10,12,20H,11H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide?
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 401.32 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 55347038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).