2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2,4,5-trichlorophenyl)acetamide

C19H15Cl3N2O3S — CID 45375148

IUPAC2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H15Cl3N2O3S/c1-24(11-19(25)23-18-10-16(21)15(20)9-17(18)22)28(26,27)14-7-6-12-4-2-3-5-13(12)8-14/h2-10H,11H2,1H3,(H,23,25)
InChIKeyKONFZVSEJAJZFR-UHFFFAOYSA-N
MW457.77 g/mol
LogP5.06
Rot. Bonds5

About 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2,4,5-trichlorophenyl)acetamide

2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 45375148) has the molecular formula C19H15Cl3N2O3S and a molecular weight of 457.77 g/mol. Its IUPAC name is 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID45375148
Molecular FormulaC19H15Cl3N2O3S
Molecular Weight457.77 g/mol
Exact Mass455.99
IUPAC Name2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H15Cl3N2O3S/c1-24(11-19(25)23-18-10-16(21)15(20)9-17(18)22)28(26,27)14-7-6-12-4-2-3-5-13(12)8-14/h2-10H,11H2,1H3,(H,23,25)
InChIKeyKONFZVSEJAJZFR-UHFFFAOYSA-N
XLogP5.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.77
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
N-(3,5-dichlorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 45375147
N-(5-chloro-2-pyridinyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 27161179
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 92511407
N-[2-[(2S)-butan-2-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 8008595
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 6142130
N-ethyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 27276320
N-(2,6-diethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2203258
N-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2202463
2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 977503
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
CID 1330087
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide
CID 2202584

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2,4,5-trichlorophenyl)acetamide (CID 45375148) is 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2,4,5-trichlorophenyl)acetamide is CN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is KONFZVSEJAJZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N2O3S/c1-24(11-19(25)23-18-10-16(21)15(20)9-17(18)22)28(26,27)14-7-6-12-4-2-3-5-13(12)8-14/h2-10H,11H2,1H3,(H,23,25).
What are the key properties of 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2,4,5-trichlorophenyl)acetamide?
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 457.77 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 45375148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).