2-[5-but-3-en-2-yl-2-(4-methoxyphenyl)-3-pyridinyl]benzenesulfonamide

C22H22N2O3S — CID 173207543

IUPAC2-[5-but-3-en-2-yl-2-(4-methoxyphenyl)-3-pyridinyl]benzenesulfonamide
SMILESC=CC(C)c1cnc(-c2ccc(OC)cc2)c(-c2ccccc2S(N)(=O)=O)c1
InChIInChI=1S/C22H22N2O3S/c1-4-15(2)17-13-20(19-7-5-6-8-21(19)28(23,25)26)22(24-14-17)16-9-11-18(27-3)12-10-16/h4-15H,1H2,2-3H3,(H2,23,25,26)
InChIKeyCQBXFILKZTXUIY-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.36
Rot. Bonds6

About 2-[5-but-3-en-2-yl-2-(4-methoxyphenyl)-3-pyridinyl]benzenesulfonamide

2-[5-but-3-en-2-yl-2-(4-methoxyphenyl)-3-pyridinyl]benzenesulfonamide (PubChem CID 173207543) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-[5-but-3-en-2-yl-2-(4-methoxyphenyl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[5-but-3-en-2-yl-2-(4-methoxyphenyl)-3-pyridinyl]benzenesulfonamide
PubChem CID173207543
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name2-[5-but-3-en-2-yl-2-(4-methoxyphenyl)-3-pyridinyl]benzenesulfonamide
SMILESC=CC(C)c1cnc(-c2ccc(OC)cc2)c(-c2ccccc2S(N)(=O)=O)c1
InChIInChI=1S/C22H22N2O3S/c1-4-15(2)17-13-20(19-7-5-6-8-21(19)28(23,25)26)22(24-14-17)16-9-11-18(27-3)12-10-16/h4-15H,1H2,2-3H3,(H2,23,25,26)
InChIKeyCQBXFILKZTXUIY-UHFFFAOYSA-N
XLogP4.36
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 173207146
2-[4-(4-methoxyphenyl)-2-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 173207529
2-[5-but-3-en-2-yl-4-(4-chlorophenyl)furan-3-yl]benzenesulfonamide
CID 173207541
2-[4-[(3-methoxy-5-methylpyrazin-2-yl)methoxy]phenyl]benzenesulfonamide
CID 91326938
2-(dimethylamino)-4-(4-methoxyphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide
CID 10289228
bis(carbamothioic S-acid);methane;2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide;prop-1-yne;hydrate
CID 173207145
4-[6-(4-fluorophenyl)-5-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylbutanamide
CID 22505630
2-[4-(4-methoxyphenyl)-1-prop-1-enyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 67647129
2,3,5-tris(4-methoxyphenyl)pyridine
CID 10834626
azane;1-but-3-en-2-yl-3-methoxybenzene
CID 143849691
4-(4-methoxyphenyl)-2-pyrrol-1-yl-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide
CID 10218138
N-hydroxy-3-[4-(4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 22505474

Frequently Asked Questions

What is the IUPAC name of 2-[5-but-3-en-2-yl-2-(4-methoxyphenyl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-[5-but-3-en-2-yl-2-(4-methoxyphenyl)-3-pyridinyl]benzenesulfonamide (CID 173207543) is 2-[5-but-3-en-2-yl-2-(4-methoxyphenyl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-[5-but-3-en-2-yl-2-(4-methoxyphenyl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-[5-but-3-en-2-yl-2-(4-methoxyphenyl)-3-pyridinyl]benzenesulfonamide is C=CC(C)c1cnc(-c2ccc(OC)cc2)c(-c2ccccc2S(N)(=O)=O)c1.
What is the InChIKey of 2-[5-but-3-en-2-yl-2-(4-methoxyphenyl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is CQBXFILKZTXUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-4-15(2)17-13-20(19-7-5-6-8-21(19)28(23,25)26)22(24-14-17)16-9-11-18(27-3)12-10-16/h4-15H,1H2,2-3H3,(H2,23,25,26).
What are the key properties of 2-[5-but-3-en-2-yl-2-(4-methoxyphenyl)-3-pyridinyl]benzenesulfonamide?
2-[5-but-3-en-2-yl-2-(4-methoxyphenyl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 394.50 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-but-3-en-2-yl-2-(4-methoxyphenyl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 173207543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).