2-[(4-methoxy-2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide

C17H17N3O6S — CID 18148183

IUPAC2-[(4-methoxy-2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C17H17N3O6S/c1-3-10-18-17(21)13-6-4-5-7-14(13)19-27(24,25)16-9-8-12(26-2)11-15(16)20(22)23/h3-9,11,19H,1,10H2,2H3,(H,18,21)
InChIKeyYRNKPHRNLHNXMP-UHFFFAOYSA-N
MW391.41 g/mol
LogP2.32
Rot. Bonds8

About 2-[(4-methoxy-2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide

2-[(4-methoxy-2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide (PubChem CID 18148183) has the molecular formula C17H17N3O6S and a molecular weight of 391.41 g/mol. Its IUPAC name is 2-[(4-methoxy-2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[(4-methoxy-2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide
PubChem CID18148183
Molecular FormulaC17H17N3O6S
Molecular Weight391.41 g/mol
Exact Mass391.08
IUPAC Name2-[(4-methoxy-2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C17H17N3O6S/c1-3-10-18-17(21)13-6-4-5-7-14(13)19-27(24,25)16-9-8-12(26-2)11-15(16)20(22)23/h3-9,11,19H,1,10H2,2H3,(H,18,21)
InChIKeyYRNKPHRNLHNXMP-UHFFFAOYSA-N
XLogP2.32
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 7933003
2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 40687985
2-[(2-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 51170213
4-methoxy-N-(2-methylsulfanylphenyl)-2-nitrobenzenesulfonamide
CID 18148049
2-[(4-phenoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 92683033
2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 39827756
methyl 5-methoxy-2-[(2-nitrophenyl)sulfonylamino]benzoate
CID 47077076
N-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]benzamide
CID 26949935
2-bromo-5-methoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 26706709
N-(2,6-difluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148013
5-methoxy-2-nitro-N-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 47858544
N-(3-bromophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18147940

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[(4-methoxy-2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide (CID 18148183) is 2-[(4-methoxy-2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[(4-methoxy-2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[(4-methoxy-2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-].
What is the InChIKey of 2-[(4-methoxy-2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide?
The InChIKey is YRNKPHRNLHNXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6S/c1-3-10-18-17(21)13-6-4-5-7-14(13)19-27(24,25)16-9-8-12(26-2)11-15(16)20(22)23/h3-9,11,19H,1,10H2,2H3,(H,18,21).
What are the key properties of 2-[(4-methoxy-2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide?
2-[(4-methoxy-2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide has a molecular weight of 391.41 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 18148183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).