2-(benzenesulfonyl)-N-(2-oxochromen-6-yl)acetamide

C17H13NO5S — CID 3978190

IUPAC2-(benzenesulfonyl)-N-(2-oxochromen-6-yl)acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C17H13NO5S/c19-16(11-24(21,22)14-4-2-1-3-5-14)18-13-7-8-15-12(10-13)6-9-17(20)23-15/h1-10H,11H2,(H,18,19)
InChIKeyOYLVPCPKIJRYPL-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.21
Rot. Bonds4

About 2-(benzenesulfonyl)-N-(2-oxochromen-6-yl)acetamide

2-(benzenesulfonyl)-N-(2-oxochromen-6-yl)acetamide (PubChem CID 3978190) has the molecular formula C17H13NO5S and a molecular weight of 343.36 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(2-oxochromen-6-yl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(2-oxochromen-6-yl)acetamide
PubChem CID3978190
Molecular FormulaC17H13NO5S
Molecular Weight343.36 g/mol
Exact Mass343.05
IUPAC Name2-(benzenesulfonyl)-N-(2-oxochromen-6-yl)acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C17H13NO5S/c19-16(11-24(21,22)14-4-2-1-3-5-14)18-13-7-8-15-12(10-13)6-9-17(20)23-15/h1-10H,11H2,(H,18,19)
InChIKeyOYLVPCPKIJRYPL-UHFFFAOYSA-N
XLogP2.21
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-oxochromen-6-yl)-3-phenylsulfanylpropanamide
CID 55977915
(2-oxochromen-6-yl)carbamic acid
CID 18427920
2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(2-oxochromen-6-yl)acetamide
CID 42656185
N-(4-aminophenyl)-2-(benzenesulfonyl)acetamide
CID 43444150
N'-hydroxy-N-(2-oxochromen-6-yl)octanediamide
CID 86581290
2-[bis[2-[carboxymethyl-[2-oxo-2-[(2-oxochromen-6-yl)amino]ethyl]amino]ethyl]amino]acetic acid
CID 102234883
2-(9-oxoacridin-10-yl)-N-(2-oxochromen-6-yl)acetamide
CID 47059966
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(2-oxochromen-6-yl)acetamide
CID 4298735
N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide
CID 18524688
2-amino-N-(2-oxochromen-6-yl)-3-phenylpropanamide;hydrochloride
CID 139945933
N-(3-amino-4-fluorophenyl)-2-(benzenesulfonyl)acetamide
CID 43444152
2-chloro-N-(2-oxochromen-6-yl)benzamide
CID 965741

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(2-oxochromen-6-yl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(2-oxochromen-6-yl)acetamide (CID 3978190) is 2-(benzenesulfonyl)-N-(2-oxochromen-6-yl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(2-oxochromen-6-yl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(2-oxochromen-6-yl)acetamide is O=C(CS(=O)(=O)c1ccccc1)Nc1ccc2oc(=O)ccc2c1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(2-oxochromen-6-yl)acetamide?
The InChIKey is OYLVPCPKIJRYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO5S/c19-16(11-24(21,22)14-4-2-1-3-5-14)18-13-7-8-15-12(10-13)6-9-17(20)23-15/h1-10H,11H2,(H,18,19).
What are the key properties of 2-(benzenesulfonyl)-N-(2-oxochromen-6-yl)acetamide?
2-(benzenesulfonyl)-N-(2-oxochromen-6-yl)acetamide has a molecular weight of 343.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(2-oxochromen-6-yl)acetamide is sourced from PubChem (CID 3978190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).