4-[[5-[(4-bromophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-prop-2-enylbenzamide

C21H18BrN3O4S — CID 46389249

IUPAC4-[[5-[(4-bromophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cn2)cc1
InChIInChI=1S/C21H18BrN3O4S/c1-2-13-23-21(26)15-3-8-18(9-4-15)29-20-12-7-17(14-24-20)25-30(27,28)19-10-5-16(22)6-11-19/h2-12,14,25H,1,13H2,(H,23,26)
InChIKeyQOOZRSMHDUYFBH-UHFFFAOYSA-N
MW488.36 g/mol
LogP4.35
Rot. Bonds8

About 4-[[5-[(4-bromophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-prop-2-enylbenzamide

4-[[5-[(4-bromophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-prop-2-enylbenzamide (PubChem CID 46389249) has the molecular formula C21H18BrN3O4S and a molecular weight of 488.36 g/mol. Its IUPAC name is 4-[[5-[(4-bromophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[[5-[(4-bromophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-prop-2-enylbenzamide
PubChem CID46389249
Molecular FormulaC21H18BrN3O4S
Molecular Weight488.36 g/mol
Exact Mass487.02
IUPAC Name4-[[5-[(4-bromophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cn2)cc1
InChIInChI=1S/C21H18BrN3O4S/c1-2-13-23-21(26)15-3-8-18(9-4-15)29-20-12-7-17(14-24-20)25-30(27,28)19-10-5-16(22)6-11-19/h2-12,14,25H,1,13H2,(H,23,26)
InChIKeyQOOZRSMHDUYFBH-UHFFFAOYSA-N
XLogP4.35
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.36
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-prop-2-enylpyridine-3-carboxamide
CID 53120168
4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 9419122
4-[[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
CID 46389220
4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 94622380
4-[(3,4-dichlorophenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109058531
N-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120103
ethyl 4-[[4-(prop-2-enylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109058528
4-[(3,4-difluorophenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109058545
6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120121
6-[4-[(4-fluorophenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95089121
4-[[5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyridinyl]oxy]-N-ethylbenzamide
CID 46389231
N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 46488305

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(4-bromophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[[5-[(4-bromophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-prop-2-enylbenzamide (CID 46389249) is 4-[[5-[(4-bromophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[[5-[(4-bromophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[[5-[(4-bromophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cn2)cc1.
What is the InChIKey of 4-[[5-[(4-bromophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-prop-2-enylbenzamide?
The InChIKey is QOOZRSMHDUYFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O4S/c1-2-13-23-21(26)15-3-8-18(9-4-15)29-20-12-7-17(14-24-20)25-30(27,28)19-10-5-16(22)6-11-19/h2-12,14,25H,1,13H2,(H,23,26).
What are the key properties of 4-[[5-[(4-bromophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-prop-2-enylbenzamide?
4-[[5-[(4-bromophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-prop-2-enylbenzamide has a molecular weight of 488.36 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(4-bromophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-prop-2-enylbenzamide is sourced from PubChem (CID 46389249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).