2-(4-chloro-N-methylsulfonylanilino)-N-(2-cyanophenyl)acetamide

C16H14ClN3O3S — CID 113154862

IUPAC2-(4-chloro-N-methylsulfonylanilino)-N-(2-cyanophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1C#N)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O3S/c1-24(22,23)20(14-8-6-13(17)7-9-14)11-16(21)19-15-5-3-2-4-12(15)10-18/h2-9H,11H2,1H3,(H,19,21)
InChIKeyNVMQESPAIDQSPO-UHFFFAOYSA-N
MW363.83 g/mol
LogP2.62
Rot. Bonds5

About 2-(4-chloro-N-methylsulfonylanilino)-N-(2-cyanophenyl)acetamide

2-(4-chloro-N-methylsulfonylanilino)-N-(2-cyanophenyl)acetamide (PubChem CID 113154862) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is 2-(4-chloro-N-methylsulfonylanilino)-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-methylsulfonylanilino)-N-(2-cyanophenyl)acetamide
PubChem CID113154862
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC Name2-(4-chloro-N-methylsulfonylanilino)-N-(2-cyanophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1C#N)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O3S/c1-24(22,23)20(14-8-6-13(17)7-9-14)11-16(21)19-15-5-3-2-4-12(15)10-18/h2-9H,11H2,1H3,(H,19,21)
InChIKeyNVMQESPAIDQSPO-UHFFFAOYSA-N
XLogP2.62
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-4-chloroanilino)-N-(2-cyanophenyl)acetamide
CID 113171651
N-(2-cyanophenyl)-2-(2,6-diethyl-N-methylsulfonylanilino)acetamide
CID 113154456
2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyanophenyl)acetamide
CID 113154863
methyl 2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155919
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-cyanophenyl)propanamide
CID 113139529
N-(2-cyanophenyl)-3-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 113144770
2-(4-chloro-N-methylsulfonylanilino)-N-(2,6-diethylphenyl)acetamide
CID 113154851
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 30219433
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 1107868
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 2290634
methyl 2-[[2-(2-cyano-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 113157244
N-(3-chlorophenyl)-2-(2-cyano-N-methylsulfonylanilino)acetamide
CID 113157216

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-(2-cyanophenyl)acetamide (CID 113154862) is 2-(4-chloro-N-methylsulfonylanilino)-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-N-methylsulfonylanilino)-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-N-methylsulfonylanilino)-N-(2-cyanophenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1C#N)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-N-methylsulfonylanilino)-N-(2-cyanophenyl)acetamide?
The InChIKey is NVMQESPAIDQSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c1-24(22,23)20(14-8-6-13(17)7-9-14)11-16(21)19-15-5-3-2-4-12(15)10-18/h2-9H,11H2,1H3,(H,19,21).
What are the key properties of 2-(4-chloro-N-methylsulfonylanilino)-N-(2-cyanophenyl)acetamide?
2-(4-chloro-N-methylsulfonylanilino)-N-(2-cyanophenyl)acetamide has a molecular weight of 363.83 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-methylsulfonylanilino)-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 113154862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).