4-but-3-enyl-N-(4-hydroxy-2-oxochromen-6-yl)benzenesulfonamide

C19H17NO5S — CID 166397272

IUPAC4-but-3-enyl-N-(4-hydroxy-2-oxochromen-6-yl)benzenesulfonamide
SMILESC=CCCc1ccc(S(=O)(=O)Nc2ccc3oc(=O)cc(O)c3c2)cc1
InChIInChI=1S/C19H17NO5S/c1-2-3-4-13-5-8-15(9-6-13)26(23,24)20-14-7-10-18-16(11-14)17(21)12-19(22)25-18/h2,5-12,20-21H,1,3-4H2
InChIKeyHGUZEKLGTNARAF-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.42
Rot. Bonds6

About 4-but-3-enyl-N-(4-hydroxy-2-oxochromen-6-yl)benzenesulfonamide

4-but-3-enyl-N-(4-hydroxy-2-oxochromen-6-yl)benzenesulfonamide (PubChem CID 166397272) has the molecular formula C19H17NO5S and a molecular weight of 371.41 g/mol. Its IUPAC name is 4-but-3-enyl-N-(4-hydroxy-2-oxochromen-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-but-3-enyl-N-(4-hydroxy-2-oxochromen-6-yl)benzenesulfonamide
PubChem CID166397272
Molecular FormulaC19H17NO5S
Molecular Weight371.41 g/mol
Exact Mass371.08
IUPAC Name4-but-3-enyl-N-(4-hydroxy-2-oxochromen-6-yl)benzenesulfonamide
SMILESC=CCCc1ccc(S(=O)(=O)Nc2ccc3oc(=O)cc(O)c3c2)cc1
InChIInChI=1S/C19H17NO5S/c1-2-3-4-13-5-8-15(9-6-13)26(23,24)20-14-7-10-18-16(11-14)17(21)12-19(22)25-18/h2,5-12,20-21H,1,3-4H2
InChIKeyHGUZEKLGTNARAF-UHFFFAOYSA-N
XLogP3.42
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(dibenzofuran-2-ylsulfamoyl)phenyl]propanoic acid
CID 9235437
4-hydroxy-7-prop-2-enylchromen-2-one
CID 141309606
N-[4-(hydroxymethyl)phenyl]-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide
CID 11340781
4-bromo-N-(6,8-dihydroxy-9-oxoxanthen-2-yl)benzenesulfonamide
CID 141478539
4-chloro-N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide
CID 110734310
4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 10425832
N-[3-(1-hydroxyethyl)phenyl]-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide
CID 11397974
6-tert-butyl-4-hydroxychromen-2-one
CID 54694576
4-methyl-N-(2-oxo-5-prop-2-enylchromen-6-yl)benzenesulfonamide
CID 135015154
N-(4-bromo-2-oxochromen-6-yl)-2-[(4-bromophenyl)methyl]benzenesulfonamide
CID 178073845
4-(bromomethyl)-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 65480451
4-iodo-N-[4-(methoxymethyl)-2-oxochromen-7-yl]benzenesulfonamide
CID 3863593

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enyl-N-(4-hydroxy-2-oxochromen-6-yl)benzenesulfonamide?
The IUPAC name of 4-but-3-enyl-N-(4-hydroxy-2-oxochromen-6-yl)benzenesulfonamide (CID 166397272) is 4-but-3-enyl-N-(4-hydroxy-2-oxochromen-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-but-3-enyl-N-(4-hydroxy-2-oxochromen-6-yl)benzenesulfonamide?
The canonical SMILES for 4-but-3-enyl-N-(4-hydroxy-2-oxochromen-6-yl)benzenesulfonamide is C=CCCc1ccc(S(=O)(=O)Nc2ccc3oc(=O)cc(O)c3c2)cc1.
What is the InChIKey of 4-but-3-enyl-N-(4-hydroxy-2-oxochromen-6-yl)benzenesulfonamide?
The InChIKey is HGUZEKLGTNARAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5S/c1-2-3-4-13-5-8-15(9-6-13)26(23,24)20-14-7-10-18-16(11-14)17(21)12-19(22)25-18/h2,5-12,20-21H,1,3-4H2.
What are the key properties of 4-but-3-enyl-N-(4-hydroxy-2-oxochromen-6-yl)benzenesulfonamide?
4-but-3-enyl-N-(4-hydroxy-2-oxochromen-6-yl)benzenesulfonamide has a molecular weight of 371.41 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-N-(4-hydroxy-2-oxochromen-6-yl)benzenesulfonamide is sourced from PubChem (CID 166397272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).