4-[(4-fluoro-3-methylphenyl)-(2-oxooxolan-3-ylidene)methyl]benzenesulfonamide

C18H16FNO4S — CID 70196084

IUPAC4-[(4-fluoro-3-methylphenyl)-(2-oxooxolan-3-ylidene)methyl]benzenesulfonamide
SMILESCc1cc(C(=C2CCOC2=O)c2ccc(S(N)(=O)=O)cc2)ccc1F
InChIInChI=1S/C18H16FNO4S/c1-11-10-13(4-7-16(11)19)17(15-8-9-24-18(15)21)12-2-5-14(6-3-12)25(20,22)23/h2-7,10H,8-9H2,1H3,(H2,20,22,23)
InChIKeyUCSMWFXXKOGDRB-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.53
Rot. Bonds3

About 4-[(4-fluoro-3-methylphenyl)-(2-oxooxolan-3-ylidene)methyl]benzenesulfonamide

4-[(4-fluoro-3-methylphenyl)-(2-oxooxolan-3-ylidene)methyl]benzenesulfonamide (PubChem CID 70196084) has the molecular formula C18H16FNO4S and a molecular weight of 361.39 g/mol. Its IUPAC name is 4-[(4-fluoro-3-methylphenyl)-(2-oxooxolan-3-ylidene)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-fluoro-3-methylphenyl)-(2-oxooxolan-3-ylidene)methyl]benzenesulfonamide
PubChem CID70196084
Molecular FormulaC18H16FNO4S
Molecular Weight361.39 g/mol
Exact Mass361.08
IUPAC Name4-[(4-fluoro-3-methylphenyl)-(2-oxooxolan-3-ylidene)methyl]benzenesulfonamide
SMILESCc1cc(C(=C2CCOC2=O)c2ccc(S(N)(=O)=O)cc2)ccc1F
InChIInChI=1S/C18H16FNO4S/c1-11-10-13(4-7-16(11)19)17(15-8-9-24-18(15)21)12-2-5-14(6-3-12)25(20,22)23/h2-7,10H,8-9H2,1H3,(H2,20,22,23)
InChIKeyUCSMWFXXKOGDRB-UHFFFAOYSA-N
XLogP2.53
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-3-methylphenyl)-(2-oxooxolan-3-ylidene)methyl]benzenesulfonamide?
The IUPAC name of 4-[(4-fluoro-3-methylphenyl)-(2-oxooxolan-3-ylidene)methyl]benzenesulfonamide (CID 70196084) is 4-[(4-fluoro-3-methylphenyl)-(2-oxooxolan-3-ylidene)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(4-fluoro-3-methylphenyl)-(2-oxooxolan-3-ylidene)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(4-fluoro-3-methylphenyl)-(2-oxooxolan-3-ylidene)methyl]benzenesulfonamide is Cc1cc(C(=C2CCOC2=O)c2ccc(S(N)(=O)=O)cc2)ccc1F.
What is the InChIKey of 4-[(4-fluoro-3-methylphenyl)-(2-oxooxolan-3-ylidene)methyl]benzenesulfonamide?
The InChIKey is UCSMWFXXKOGDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4S/c1-11-10-13(4-7-16(11)19)17(15-8-9-24-18(15)21)12-2-5-14(6-3-12)25(20,22)23/h2-7,10H,8-9H2,1H3,(H2,20,22,23).
What are the key properties of 4-[(4-fluoro-3-methylphenyl)-(2-oxooxolan-3-ylidene)methyl]benzenesulfonamide?
4-[(4-fluoro-3-methylphenyl)-(2-oxooxolan-3-ylidene)methyl]benzenesulfonamide has a molecular weight of 361.39 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-3-methylphenyl)-(2-oxooxolan-3-ylidene)methyl]benzenesulfonamide is sourced from PubChem (CID 70196084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).