2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide

C17H17Cl3N2O3S — CID 51342866

IUPAC2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
SMILESCc1cc(Cl)ccc1N(CC(=O)NCc1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C17H17Cl3N2O3S/c1-11-7-13(18)5-6-16(11)22(26(2,24)25)10-17(23)21-9-12-3-4-14(19)8-15(12)20/h3-8H,9-10H2,1-2H3,(H,21,23)
InChIKeyCWOTYEOGZFVKSZ-UHFFFAOYSA-N
MW435.76 g/mol
LogP4.04
Rot. Bonds6

About 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide

2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide (PubChem CID 51342866) has the molecular formula C17H17Cl3N2O3S and a molecular weight of 435.76 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
PubChem CID51342866
Molecular FormulaC17H17Cl3N2O3S
Molecular Weight435.76 g/mol
Exact Mass434.00
IUPAC Name2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
SMILESCc1cc(Cl)ccc1N(CC(=O)NCc1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C17H17Cl3N2O3S/c1-11-7-13(18)5-6-16(11)22(26(2,24)25)10-17(23)21-9-12-3-4-14(19)8-15(12)20/h3-8H,9-10H2,1-2H3,(H,21,23)
InChIKeyCWOTYEOGZFVKSZ-UHFFFAOYSA-N
XLogP4.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.76
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 51342994
N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 51342604
N-[(2,4-dichlorophenyl)methyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 51343008
N-[(2,4-dichlorophenyl)methyl]-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 51342745
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 4584427
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 22193681
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 30168964
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 1137010
2-(3-acetyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 2983830
N-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 3465681
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 3700532
N-[(2,4-dichlorophenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30263695

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide (CID 51342866) is 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide is Cc1cc(Cl)ccc1N(CC(=O)NCc1ccc(Cl)cc1Cl)S(C)(=O)=O.
What is the InChIKey of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide?
The InChIKey is CWOTYEOGZFVKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl3N2O3S/c1-11-7-13(18)5-6-16(11)22(26(2,24)25)10-17(23)21-9-12-3-4-14(19)8-15(12)20/h3-8H,9-10H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide?
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide has a molecular weight of 435.76 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide is sourced from PubChem (CID 51342866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).