4-[2-(4-fluorophenyl)-5-propan-2-ylthiophen-3-yl]benzenesulfonamide

C19H18FNO2S2 — CID 15390771

IUPAC4-[2-(4-fluorophenyl)-5-propan-2-ylthiophen-3-yl]benzenesulfonamide
SMILESCC(C)c1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H18FNO2S2/c1-12(2)18-11-17(13-5-9-16(10-6-13)25(21,22)23)19(24-18)14-3-7-15(20)8-4-14/h3-12H,1-2H3,(H2,21,22,23)
InChIKeyOZYHFVJLDWNSLD-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.99
Rot. Bonds4

About 4-[2-(4-fluorophenyl)-5-propan-2-ylthiophen-3-yl]benzenesulfonamide

4-[2-(4-fluorophenyl)-5-propan-2-ylthiophen-3-yl]benzenesulfonamide (PubChem CID 15390771) has the molecular formula C19H18FNO2S2 and a molecular weight of 375.49 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-5-propan-2-ylthiophen-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-5-propan-2-ylthiophen-3-yl]benzenesulfonamide
PubChem CID15390771
Molecular FormulaC19H18FNO2S2
Molecular Weight375.49 g/mol
Exact Mass375.08
IUPAC Name4-[2-(4-fluorophenyl)-5-propan-2-ylthiophen-3-yl]benzenesulfonamide
SMILESCC(C)c1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H18FNO2S2/c1-12(2)18-11-17(13-5-9-16(10-6-13)25(21,22)23)19(24-18)14-3-7-15(20)8-4-14/h3-12H,1-2H3,(H2,21,22,23)
InChIKeyOZYHFVJLDWNSLD-UHFFFAOYSA-N
XLogP4.99
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-5-propan-2-ylthiophen-3-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-fluorophenyl)-5-propan-2-ylthiophen-3-yl]benzenesulfonamide (CID 15390771) is 4-[2-(4-fluorophenyl)-5-propan-2-ylthiophen-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-5-propan-2-ylthiophen-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-fluorophenyl)-5-propan-2-ylthiophen-3-yl]benzenesulfonamide is CC(C)c1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-5-propan-2-ylthiophen-3-yl]benzenesulfonamide?
The InChIKey is OZYHFVJLDWNSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2S2/c1-12(2)18-11-17(13-5-9-16(10-6-13)25(21,22)23)19(24-18)14-3-7-15(20)8-4-14/h3-12H,1-2H3,(H2,21,22,23).
What are the key properties of 4-[2-(4-fluorophenyl)-5-propan-2-ylthiophen-3-yl]benzenesulfonamide?
4-[2-(4-fluorophenyl)-5-propan-2-ylthiophen-3-yl]benzenesulfonamide has a molecular weight of 375.49 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-5-propan-2-ylthiophen-3-yl]benzenesulfonamide is sourced from PubChem (CID 15390771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).