2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(pyridin-2-ylmethyl)acetamide

C21H20ClN3O3S — CID 1103836

IUPAC2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cc(Cl)ccc1N(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H20ClN3O3S/c1-16-13-17(22)10-11-20(16)25(29(27,28)19-8-3-2-4-9-19)15-21(26)24-14-18-7-5-6-12-23-18/h2-13H,14-15H2,1H3,(H,24,26)
InChIKeyNEUZQCSKKOFMSY-UHFFFAOYSA-N
MW429.93 g/mol
LogP3.56
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(pyridin-2-ylmethyl)acetamide

2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 1103836) has the molecular formula C21H20ClN3O3S and a molecular weight of 429.93 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID1103836
Molecular FormulaC21H20ClN3O3S
Molecular Weight429.93 g/mol
Exact Mass429.09
IUPAC Name2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cc(Cl)ccc1N(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H20ClN3O3S/c1-16-13-17(22)10-11-20(16)25(29(27,28)19-8-3-2-4-9-19)15-21(26)24-14-18-7-5-6-12-23-18/h2-13H,14-15H2,1H3,(H,24,26)
InChIKeyNEUZQCSKKOFMSY-UHFFFAOYSA-N
XLogP3.56
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 3249148
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 1160770
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43902073
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methylbutyl)acetamide
CID 21372651
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 1142996
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide
CID 983021
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-(N-methylanilino)ethyl]acetamide
CID 30206529
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 2897253
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide
CID 2273343
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 4589400
2-(4-chloro-2-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 67968189
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[3-[(2-methylphenyl)methylsulfanyl]propyl]acetamide
CID 30206601

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(pyridin-2-ylmethyl)acetamide (CID 1103836) is 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(pyridin-2-ylmethyl)acetamide is Cc1cc(Cl)ccc1N(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is NEUZQCSKKOFMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3S/c1-16-13-17(22)10-11-20(16)25(29(27,28)19-8-3-2-4-9-19)15-21(26)24-14-18-7-5-6-12-23-18/h2-13H,14-15H2,1H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(pyridin-2-ylmethyl)acetamide?
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 429.93 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 1103836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).