2-[(2-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide

C17H18N2O4S — CID 51170213

IUPAC2-[(2-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccccc1OC
InChIInChI=1S/C17H18N2O4S/c1-3-12-18-17(20)13-8-4-5-9-14(13)19-24(21,22)16-11-7-6-10-15(16)23-2/h3-11,19H,1,12H2,2H3,(H,18,20)
InChIKeyJQRQOSVPKJKISM-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.41
Rot. Bonds7

About 2-[(2-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide

2-[(2-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide (PubChem CID 51170213) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
PubChem CID51170213
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name2-[(2-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccccc1OC
InChIInChI=1S/C17H18N2O4S/c1-3-12-18-17(20)13-8-4-5-9-14(13)19-24(21,22)16-11-7-6-10-15(16)23-2/h3-11,19H,1,12H2,2H3,(H,18,20)
InChIKeyJQRQOSVPKJKISM-UHFFFAOYSA-N
XLogP2.41
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 39827756
2-methoxy-N-prop-2-enylbenzamide
CID 4063222
2-[(2-methoxyphenyl)sulfonylamino]benzoic acid
CID 43091453
methyl 2-[(2-methoxyphenyl)sulfonylamino]benzoate
CID 110757322
2-[(2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 7933003
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)sulfonylamino]benzamide
CID 51170390
2-[(4-methoxy-2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 18148183
2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 34743144
2-[(4-phenoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 92683033
2-[(5-bromo-2-methoxyphenyl)methylamino]-N-prop-2-enylbenzamide
CID 78826242
2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 40687985
2-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-prop-2-enylbenzamide
CID 126134629

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[(2-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide (CID 51170213) is 2-[(2-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[(2-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[(2-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccccc1OC.
What is the InChIKey of 2-[(2-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide?
The InChIKey is JQRQOSVPKJKISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-3-12-18-17(20)13-8-4-5-9-14(13)19-24(21,22)16-11-7-6-10-15(16)23-2/h3-11,19H,1,12H2,2H3,(H,18,20).
What are the key properties of 2-[(2-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide?
2-[(2-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide has a molecular weight of 346.41 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 51170213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).