2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-pyridin-3-ylacetamide

C16H16ClN3O3S — CID 4879904

IUPAC2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-pyridin-3-ylacetamide
SMILESC=CCN(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3O3S/c1-2-10-20(12-16(21)19-14-4-3-9-18-11-14)24(22,23)15-7-5-13(17)6-8-15/h2-9,11H,1,10,12H2,(H,19,21)
InChIKeyDPYPQEJDXYLDMT-UHFFFAOYSA-N
MW365.84 g/mol
LogP2.55
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-pyridin-3-ylacetamide

2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-pyridin-3-ylacetamide (PubChem CID 4879904) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-pyridin-3-ylacetamide
PubChem CID4879904
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC Name2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-pyridin-3-ylacetamide
SMILESC=CCN(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3O3S/c1-2-10-20(12-16(21)19-14-4-3-9-18-11-14)24(22,23)15-7-5-13(17)6-8-15/h2-9,11H,1,10,12H2,(H,19,21)
InChIKeyDPYPQEJDXYLDMT-UHFFFAOYSA-N
XLogP2.55
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-pyridin-3-ylacetamide (CID 4879904) is 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-pyridin-3-ylacetamide is C=CCN(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-pyridin-3-ylacetamide?
The InChIKey is DPYPQEJDXYLDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c1-2-10-20(12-16(21)19-14-4-3-9-18-11-14)24(22,23)15-7-5-13(17)6-8-15/h2-9,11H,1,10,12H2,(H,19,21).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-pyridin-3-ylacetamide?
2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-pyridin-3-ylacetamide has a molecular weight of 365.84 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 4879904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).