2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide

C14H14ClN3O3S — CID 851376

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide
SMILESCN(CC(=O)Nc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O3S/c1-18(10-14(19)17-13-4-2-3-9-16-13)22(20,21)12-7-5-11(15)6-8-12/h2-9H,10H2,1H3,(H,16,17,19)
InChIKeyRXJVIUVJSVETNX-UHFFFAOYSA-N
MW339.80 g/mol
LogP1.99
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide (PubChem CID 851376) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide
PubChem CID851376
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide
SMILESCN(CC(=O)Nc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O3S/c1-18(10-14(19)17-13-4-2-3-9-16-13)22(20,21)12-7-5-11(15)6-8-12/h2-9H,10H2,1H3,(H,16,17,19)
InChIKeyRXJVIUVJSVETNX-UHFFFAOYSA-N
XLogP1.99
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide (CID 851376) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide is CN(CC(=O)Nc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide?
The InChIKey is RXJVIUVJSVETNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c1-18(10-14(19)17-13-4-2-3-9-16-13)22(20,21)12-7-5-11(15)6-8-12/h2-9H,10H2,1H3,(H,16,17,19).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide has a molecular weight of 339.80 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 851376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).