3-(benzenesulfonyl)-2-methoxy-5-phenylfuran

C17H14O4S — CID 86030515

IUPAC3-(benzenesulfonyl)-2-methoxy-5-phenylfuran
SMILESCOc1oc(-c2ccccc2)cc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H14O4S/c1-20-17-16(22(18,19)14-10-6-3-7-11-14)12-15(21-17)13-8-4-2-5-9-13/h2-12H,1H3
InChIKeyIRMKHZJNQVYYAV-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.79
Rot. Bonds4

About 3-(benzenesulfonyl)-2-methoxy-5-phenylfuran

3-(benzenesulfonyl)-2-methoxy-5-phenylfuran (PubChem CID 86030515) has the molecular formula C17H14O4S and a molecular weight of 314.36 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2-methoxy-5-phenylfuran.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2-methoxy-5-phenylfuran
PubChem CID86030515
Molecular FormulaC17H14O4S
Molecular Weight314.36 g/mol
Exact Mass314.06
IUPAC Name3-(benzenesulfonyl)-2-methoxy-5-phenylfuran
SMILESCOc1oc(-c2ccccc2)cc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H14O4S/c1-20-17-16(22(18,19)14-10-6-3-7-11-14)12-15(21-17)13-8-4-2-5-9-13/h2-12H,1H3
InChIKeyIRMKHZJNQVYYAV-UHFFFAOYSA-N
XLogP3.79
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(benzenesulfonyl)-2-methoxy-5-phenylfuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(benzenesulfonyl)-5-(benzenesulfonylmethyl)-2-methoxyfuran
CID 15723433
3-(benzenesulfonyl)-1,2-dimethyl-5-phenylpyrrole
CID 14006844
benzene;benzenesulfonylbenzene;ethane;methoxymethane
CID 158977372
1,2-bis(benzenesulfonyl)benzene
CID 19980733
3-(benzenesulfonyl)-1,5-dimethyl-2-phenylpyrrole
CID 14006847
2-methoxy-6-phenylpyran-4-one
CID 568371
7-(benzenesulfonyl)-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 22368314
3-(benzenesulfonyl)-2-methoxyaniline
CID 59675219
benzene;benzenesulfonylbenzene;ethane;methoxymethane;methylsulfonylmethane
CID 157418553
5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one
CID 14889330
1-(benzenesulfonyl)-2-methylsulfanylbenzene
CID 139816771
benzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane
CID 67285974

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2-methoxy-5-phenylfuran?
The IUPAC name of 3-(benzenesulfonyl)-2-methoxy-5-phenylfuran (CID 86030515) is 3-(benzenesulfonyl)-2-methoxy-5-phenylfuran.
What is the SMILES notation for 3-(benzenesulfonyl)-2-methoxy-5-phenylfuran?
The canonical SMILES for 3-(benzenesulfonyl)-2-methoxy-5-phenylfuran is COc1oc(-c2ccccc2)cc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-2-methoxy-5-phenylfuran?
The InChIKey is IRMKHZJNQVYYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4S/c1-20-17-16(22(18,19)14-10-6-3-7-11-14)12-15(21-17)13-8-4-2-5-9-13/h2-12H,1H3.
What are the key properties of 3-(benzenesulfonyl)-2-methoxy-5-phenylfuran?
3-(benzenesulfonyl)-2-methoxy-5-phenylfuran has a molecular weight of 314.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2-methoxy-5-phenylfuran is sourced from PubChem (CID 86030515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).