2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)acetamide

C15H15Cl2N3O3S — CID 1082930

IUPAC2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1ccncc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H15Cl2N3O3S/c1-20(10-15(21)19-9-11-4-6-18-7-5-11)24(22,23)14-8-12(16)2-3-13(14)17/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyAUZHXVAWDHTBPS-UHFFFAOYSA-N
MW388.28 g/mol
LogP2.33
Rot. Bonds6

About 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)acetamide

2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 1082930) has the molecular formula C15H15Cl2N3O3S and a molecular weight of 388.28 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID1082930
Molecular FormulaC15H15Cl2N3O3S
Molecular Weight388.28 g/mol
Exact Mass387.02
IUPAC Name2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1ccncc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H15Cl2N3O3S/c1-20(10-15(21)19-9-11-4-6-18-7-5-11)24(22,23)14-8-12(16)2-3-13(14)17/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyAUZHXVAWDHTBPS-UHFFFAOYSA-N
XLogP2.33
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)acetamide (CID 1082930) is 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)acetamide is CN(CC(=O)NCc1ccncc1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is AUZHXVAWDHTBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3S/c1-20(10-15(21)19-9-11-4-6-18-7-5-11)24(22,23)14-8-12(16)2-3-13(14)17/h2-8H,9-10H2,1H3,(H,19,21).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)acetamide?
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 388.28 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 1082930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).