3-(6-chloro-2H-chromen-3-yl)-N-pyridin-3-ylsulfonylprop-2-enamide

C17H13ClN2O4S — CID 71892311

IUPAC3-(6-chloro-2H-chromen-3-yl)-N-pyridin-3-ylsulfonylprop-2-enamide
SMILESO=C(C=CC1=Cc2cc(Cl)ccc2OC1)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C17H13ClN2O4S/c18-14-4-5-16-13(9-14)8-12(11-24-16)3-6-17(21)20-25(22,23)15-2-1-7-19-10-15/h1-10H,11H2,(H,20,21)
InChIKeyVRUDUARNFQYDEZ-UHFFFAOYSA-N
MW376.82 g/mol
LogP2.57
Rot. Bonds4

About 3-(6-chloro-2H-chromen-3-yl)-N-pyridin-3-ylsulfonylprop-2-enamide

3-(6-chloro-2H-chromen-3-yl)-N-pyridin-3-ylsulfonylprop-2-enamide (PubChem CID 71892311) has the molecular formula C17H13ClN2O4S and a molecular weight of 376.82 g/mol. Its IUPAC name is 3-(6-chloro-2H-chromen-3-yl)-N-pyridin-3-ylsulfonylprop-2-enamide.

Molecular Properties

Compound Name3-(6-chloro-2H-chromen-3-yl)-N-pyridin-3-ylsulfonylprop-2-enamide
PubChem CID71892311
Molecular FormulaC17H13ClN2O4S
Molecular Weight376.82 g/mol
Exact Mass376.03
IUPAC Name3-(6-chloro-2H-chromen-3-yl)-N-pyridin-3-ylsulfonylprop-2-enamide
SMILESO=C(C=CC1=Cc2cc(Cl)ccc2OC1)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C17H13ClN2O4S/c18-14-4-5-16-13(9-14)8-12(11-24-16)3-6-17(21)20-25(22,23)15-2-1-7-19-10-15/h1-10H,11H2,(H,20,21)
InChIKeyVRUDUARNFQYDEZ-UHFFFAOYSA-N
XLogP2.57
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-Chloro-2-[2-[5-(dimethylsulfamoyl)-3-pyridinyl]ethynyl]phenoxy]acetic acid
CID 56595047
{4-Chloro-2-[(5-{[(2-hydroxyethyl)amino]sulfonyl}pyridin-3-yl)ethynyl]phenoxy}acetic acid
CID 56595049
12-Chloro-4-ethylsulfonyl-23-methyl-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-22-one
CID 118137754
12-Chloro-23-methyl-4-(methylsulfonylmethyl)-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-22-one
CID 118137765
N-(12-chloro-23-methyl-22-oxo-8,19-dioxa-6,23-diazatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide
CID 118137846
N-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-[4-(prop-2-ynylsulfamoyl)phenyl]ethyl]-2-pyridin-4-ylacetamide
CID 155542532
2-(4-chloro-2-methyl-5-{[(3-pyridinylmethyl)amino]sulfonyl}phenoxy)-N-cyclohexylacetamide
CID 2953534
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3162882
6-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 18284689
2-[4-Chloro-2-methyl-5-(2-pyridinylsulfamoyl)phenoxy]acetamide
CID 992277
1-(5-Chloro-2-ethoxybenzenesulfonyl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 2990760
2-(4-Chloro-2-methyl-5-{[(4-pyridinylmethyl)amino]sulfonyl}phenoxy)acetamide
CID 1288545

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2H-chromen-3-yl)-N-pyridin-3-ylsulfonylprop-2-enamide?
The IUPAC name of 3-(6-chloro-2H-chromen-3-yl)-N-pyridin-3-ylsulfonylprop-2-enamide (CID 71892311) is 3-(6-chloro-2H-chromen-3-yl)-N-pyridin-3-ylsulfonylprop-2-enamide.
What is the SMILES notation for 3-(6-chloro-2H-chromen-3-yl)-N-pyridin-3-ylsulfonylprop-2-enamide?
The canonical SMILES for 3-(6-chloro-2H-chromen-3-yl)-N-pyridin-3-ylsulfonylprop-2-enamide is O=C(C=CC1=Cc2cc(Cl)ccc2OC1)NS(=O)(=O)c1cccnc1.
What is the InChIKey of 3-(6-chloro-2H-chromen-3-yl)-N-pyridin-3-ylsulfonylprop-2-enamide?
The InChIKey is VRUDUARNFQYDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4S/c18-14-4-5-16-13(9-14)8-12(11-24-16)3-6-17(21)20-25(22,23)15-2-1-7-19-10-15/h1-10H,11H2,(H,20,21).
What are the key properties of 3-(6-chloro-2H-chromen-3-yl)-N-pyridin-3-ylsulfonylprop-2-enamide?
3-(6-chloro-2H-chromen-3-yl)-N-pyridin-3-ylsulfonylprop-2-enamide has a molecular weight of 376.82 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2H-chromen-3-yl)-N-pyridin-3-ylsulfonylprop-2-enamide is sourced from PubChem (CID 71892311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).