2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide

C20H18ClN3O3S — CID 1287522

IUPAC2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H18ClN3O3S/c1-15-4-10-19(11-5-15)28(26,27)24(18-8-6-16(21)7-9-18)14-20(25)23-17-3-2-12-22-13-17/h2-13H,14H2,1H3,(H,23,25)
InChIKeyZHLCYVIAIBXVPT-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.88
Rot. Bonds6

About 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide

2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide (PubChem CID 1287522) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
PubChem CID1287522
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC Name2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H18ClN3O3S/c1-15-4-10-19(11-5-15)28(26,27)24(18-8-6-16(21)7-9-18)14-20(25)23-17-3-2-12-22-13-17/h2-13H,14H2,1H3,(H,23,25)
InChIKeyZHLCYVIAIBXVPT-UHFFFAOYSA-N
XLogP3.88
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345333
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 99943258
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-3-ylacetamide
CID 17380536
2-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)-N-pyridin-3-ylacetamide
CID 1306878
N-(3-bromophenyl)-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30171190
2-(4-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-phenylacetamide
CID 1472193
2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-pyridin-3-ylacetamide
CID 1000015
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 30171177
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-(4-ethylphenyl)acetamide
CID 3316873
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1315993
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-(3-nitrophenyl)acetamide
CID 2235517
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-phenylacetamide
CID 1475349

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide (CID 1287522) is 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
The InChIKey is ZHLCYVIAIBXVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c1-15-4-10-19(11-5-15)28(26,27)24(18-8-6-16(21)7-9-18)14-20(25)23-17-3-2-12-22-13-17/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide has a molecular weight of 415.90 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 1287522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).