2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-prop-2-enylpyridine-3-carboxamide

C21H18BrN3O4S — CID 53120168

IUPAC2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H18BrN3O4S/c1-2-13-23-20(26)19-4-3-14-24-21(19)29-17-9-7-16(8-10-17)25-30(27,28)18-11-5-15(22)6-12-18/h2-12,14,25H,1,13H2,(H,23,26)
InChIKeyZIZYEVLUNUUPQN-UHFFFAOYSA-N
MW488.36 g/mol
LogP4.35
Rot. Bonds8

About 2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-prop-2-enylpyridine-3-carboxamide

2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 53120168) has the molecular formula C21H18BrN3O4S and a molecular weight of 488.36 g/mol. Its IUPAC name is 2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID53120168
Molecular FormulaC21H18BrN3O4S
Molecular Weight488.36 g/mol
Exact Mass487.02
IUPAC Name2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H18BrN3O4S/c1-2-13-23-20(26)19-4-3-14-24-21(19)29-17-9-7-16(8-10-17)25-30(27,28)18-11-5-15(22)6-12-18/h2-12,14,25H,1,13H2,(H,23,26)
InChIKeyZIZYEVLUNUUPQN-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-(methanesulfonamido)phenoxy]-N-prop-2-enylpyridine-3-carboxamide
CID 53120247
2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120166
4-[[5-[(4-bromophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-prop-2-enylbenzamide
CID 46389249
2-[4-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide
CID 53120274
2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]-N-cyclopentylpyridine-3-carboxamide
CID 53120219
2-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53120215
N-ethyl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide
CID 53120244
2-[(4-phenoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 92683033
N-(2-amino-2-methylpropyl)-2-(4-bromophenoxy)pyridine-3-carboxamide
CID 119627181
4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 9419122
N-pentyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]pyridine-3-carboxamide
CID 53120314
2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
CID 53120306

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-prop-2-enylpyridine-3-carboxamide (CID 53120168) is 2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is ZIZYEVLUNUUPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O4S/c1-2-13-23-20(26)19-4-3-14-24-21(19)29-17-9-7-16(8-10-17)25-30(27,28)18-11-5-15(22)6-12-18/h2-12,14,25H,1,13H2,(H,23,26).
What are the key properties of 2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-prop-2-enylpyridine-3-carboxamide?
2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-prop-2-enylpyridine-3-carboxamide 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 2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 53120168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).