2-[5-but-3-en-2-yl-4-(4-chlorophenyl)furan-3-yl]benzenesulfonamide

C20H18ClNO3S — CID 173207541

IUPAC2-[5-but-3-en-2-yl-4-(4-chlorophenyl)furan-3-yl]benzenesulfonamide
SMILESC=CC(C)c1occ(-c2ccccc2S(N)(=O)=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNO3S/c1-3-13(2)20-19(14-8-10-15(21)11-9-14)17(12-25-20)16-6-4-5-7-18(16)26(22,23)24/h3-13H,1H2,2H3,(H2,22,23,24)
InChIKeyDHLSYDVEXNEBKT-UHFFFAOYSA-N
MW387.89 g/mol
LogP5.20
Rot. Bonds5

About 2-[5-but-3-en-2-yl-4-(4-chlorophenyl)furan-3-yl]benzenesulfonamide

2-[5-but-3-en-2-yl-4-(4-chlorophenyl)furan-3-yl]benzenesulfonamide (PubChem CID 173207541) has the molecular formula C20H18ClNO3S and a molecular weight of 387.89 g/mol. Its IUPAC name is 2-[5-but-3-en-2-yl-4-(4-chlorophenyl)furan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[5-but-3-en-2-yl-4-(4-chlorophenyl)furan-3-yl]benzenesulfonamide
PubChem CID173207541
Molecular FormulaC20H18ClNO3S
Molecular Weight387.89 g/mol
Exact Mass387.07
IUPAC Name2-[5-but-3-en-2-yl-4-(4-chlorophenyl)furan-3-yl]benzenesulfonamide
SMILESC=CC(C)c1occ(-c2ccccc2S(N)(=O)=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNO3S/c1-3-13(2)20-19(14-8-10-15(21)11-9-14)17(12-25-20)16-6-4-5-7-18(16)26(22,23)24/h3-13H,1H2,2H3,(H2,22,23,24)
InChIKeyDHLSYDVEXNEBKT-UHFFFAOYSA-N
XLogP5.20
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.89
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-but-3-en-2-yl-3-(4-chlorophenyl)-4-(2-methylsulfonylphenyl)-1,2-oxazole;bis(carbamothioic S-acid);methane;hydrate
CID 173207562
2-[3-(4-chlorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 173207565
3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 67648774
2-[5-but-3-en-2-yl-2-(4-methoxyphenyl)-3-pyridinyl]benzenesulfonamide
CID 173207543
2-[4-(4-chlorophenyl)-1-ethyl-5-methylpyrazol-3-yl]benzenesulfonamide
CID 67646311
2-[2-(2-chlorophenyl)phenyl]benzenesulfonamide
CID 175024723
2-[2-(4-fluorophenyl)phenyl]benzenesulfonamide
CID 23217342
3-[3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylpropanamide
CID 22505697
2-[4-(4-chlorophenyl)-1-prop-1-enyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 67645439
bis(carbamothioic S-acid);2-[4-(4-fluorophenyl)-5-propylfuran-3-yl]benzenesulfonamide;methane;hydrate
CID 173207155
2-[4-(4-chlorophenyl)-1-(cyanomethyl)-5-methylpyrazol-3-yl]benzenesulfonamide
CID 67645150
2-[2-(4-chlorophenyl)-5-propyl-3-pyridinyl]benzenesulfonamide
CID 173207449

Frequently Asked Questions

What is the IUPAC name of 2-[5-but-3-en-2-yl-4-(4-chlorophenyl)furan-3-yl]benzenesulfonamide?
The IUPAC name of 2-[5-but-3-en-2-yl-4-(4-chlorophenyl)furan-3-yl]benzenesulfonamide (CID 173207541) is 2-[5-but-3-en-2-yl-4-(4-chlorophenyl)furan-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-[5-but-3-en-2-yl-4-(4-chlorophenyl)furan-3-yl]benzenesulfonamide?
The canonical SMILES for 2-[5-but-3-en-2-yl-4-(4-chlorophenyl)furan-3-yl]benzenesulfonamide is C=CC(C)c1occ(-c2ccccc2S(N)(=O)=O)c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[5-but-3-en-2-yl-4-(4-chlorophenyl)furan-3-yl]benzenesulfonamide?
The InChIKey is DHLSYDVEXNEBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3S/c1-3-13(2)20-19(14-8-10-15(21)11-9-14)17(12-25-20)16-6-4-5-7-18(16)26(22,23)24/h3-13H,1H2,2H3,(H2,22,23,24).
What are the key properties of 2-[5-but-3-en-2-yl-4-(4-chlorophenyl)furan-3-yl]benzenesulfonamide?
2-[5-but-3-en-2-yl-4-(4-chlorophenyl)furan-3-yl]benzenesulfonamide has a molecular weight of 387.89 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-but-3-en-2-yl-4-(4-chlorophenyl)furan-3-yl]benzenesulfonamide is sourced from PubChem (CID 173207541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).