N-[(2-chlorophenyl)methyl]-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide

C16H15Cl3N2O3S — CID 126121425

IUPACN-[(2-chlorophenyl)methyl]-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1Cl)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H15Cl3N2O3S/c1-25(23,24)21(14-7-12(17)6-13(18)8-14)10-16(22)20-9-11-4-2-3-5-15(11)19/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyKCVVCPNOJCKXKZ-UHFFFAOYSA-N
MW421.73 g/mol
LogP3.73
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide

N-[(2-chlorophenyl)methyl]-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide (PubChem CID 126121425) has the molecular formula C16H15Cl3N2O3S and a molecular weight of 421.73 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide
PubChem CID126121425
Molecular FormulaC16H15Cl3N2O3S
Molecular Weight421.73 g/mol
Exact Mass419.99
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1Cl)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H15Cl3N2O3S/c1-25(23,24)21(14-7-12(17)6-13(18)8-14)10-16(22)20-9-11-4-2-3-5-15(11)19/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyKCVVCPNOJCKXKZ-UHFFFAOYSA-N
XLogP3.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.73
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 113155200
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 982667
N-[(2-chlorophenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 1210502
N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 51342604
2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43895793
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(2-chlorophenyl)methyl]acetamide
CID 126126356
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 22193681
2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 3138298
2-(2-bromo-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 51342994
2-(3-acetyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 2983830
N-[(2,4-dichlorophenyl)methyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 51343008
(2S)-2-[(2-chlorophenyl)methyl-[2-(3,5-dichloro-N-methylsulfonylanilino)acetyl]amino]-N-propylbutanamide
CID 100566431

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide (CID 126121425) is N-[(2-chlorophenyl)methyl]-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)NCc1ccccc1Cl)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide?
The InChIKey is KCVVCPNOJCKXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3N2O3S/c1-25(23,24)21(14-7-12(17)6-13(18)8-14)10-16(22)20-9-11-4-2-3-5-15(11)19/h2-8H,9-10H2,1H3,(H,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide?
N-[(2-chlorophenyl)methyl]-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide has a molecular weight of 421.73 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 126121425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).