3-fluoro-N-[4-(3-hydroxyphenyl)phenyl]thiophene-2-sulfonamide

C16H12FNO3S2 — CID 166368047

IUPAC3-fluoro-N-[4-(3-hydroxyphenyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cccc(O)c2)cc1)c1sccc1F
InChIInChI=1S/C16H12FNO3S2/c17-15-8-9-22-16(15)23(20,21)18-13-6-4-11(5-7-13)12-2-1-3-14(19)10-12/h1-10,18-19H
InChIKeyVTILVKSMGBGBPN-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.06
Rot. Bonds4

About 3-fluoro-N-[4-(3-hydroxyphenyl)phenyl]thiophene-2-sulfonamide

3-fluoro-N-[4-(3-hydroxyphenyl)phenyl]thiophene-2-sulfonamide (PubChem CID 166368047) has the molecular formula C16H12FNO3S2 and a molecular weight of 349.41 g/mol. Its IUPAC name is 3-fluoro-N-[4-(3-hydroxyphenyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(3-hydroxyphenyl)phenyl]thiophene-2-sulfonamide
PubChem CID166368047
Molecular FormulaC16H12FNO3S2
Molecular Weight349.41 g/mol
Exact Mass349.02
IUPAC Name3-fluoro-N-[4-(3-hydroxyphenyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cccc(O)c2)cc1)c1sccc1F
InChIInChI=1S/C16H12FNO3S2/c17-15-8-9-22-16(15)23(20,21)18-13-6-4-11(5-7-13)12-2-1-3-14(19)10-12/h1-10,18-19H
InChIKeyVTILVKSMGBGBPN-UHFFFAOYSA-N
XLogP4.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(3-hydroxyphenyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 3-fluoro-N-[4-(3-hydroxyphenyl)phenyl]thiophene-2-sulfonamide (CID 166368047) is 3-fluoro-N-[4-(3-hydroxyphenyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-fluoro-N-[4-(3-hydroxyphenyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-fluoro-N-[4-(3-hydroxyphenyl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(-c2cccc(O)c2)cc1)c1sccc1F.
What is the InChIKey of 3-fluoro-N-[4-(3-hydroxyphenyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is VTILVKSMGBGBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3S2/c17-15-8-9-22-16(15)23(20,21)18-13-6-4-11(5-7-13)12-2-1-3-14(19)10-12/h1-10,18-19H.
What are the key properties of 3-fluoro-N-[4-(3-hydroxyphenyl)phenyl]thiophene-2-sulfonamide?
3-fluoro-N-[4-(3-hydroxyphenyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 349.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(3-hydroxyphenyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 166368047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).