4-[2-(4-methylthiophen-2-yl)phenyl]benzenesulfonamide

C17H15NO2S2 — CID 23451076

IUPAC4-[2-(4-methylthiophen-2-yl)phenyl]benzenesulfonamide
SMILESCc1csc(-c2ccccc2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H15NO2S2/c1-12-10-17(21-11-12)16-5-3-2-4-15(16)13-6-8-14(9-7-13)22(18,19)20/h2-11H,1H3,(H2,18,19,20)
InChIKeyYEUPQMYEHSPYKC-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.04
Rot. Bonds3

About 4-[2-(4-methylthiophen-2-yl)phenyl]benzenesulfonamide

4-[2-(4-methylthiophen-2-yl)phenyl]benzenesulfonamide (PubChem CID 23451076) has the molecular formula C17H15NO2S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 4-[2-(4-methylthiophen-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-methylthiophen-2-yl)phenyl]benzenesulfonamide
PubChem CID23451076
Molecular FormulaC17H15NO2S2
Molecular Weight329.45 g/mol
Exact Mass329.05
IUPAC Name4-[2-(4-methylthiophen-2-yl)phenyl]benzenesulfonamide
SMILESCc1csc(-c2ccccc2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H15NO2S2/c1-12-10-17(21-11-12)16-5-3-2-4-15(16)13-6-8-14(9-7-13)22(18,19)20/h2-11H,1H3,(H2,18,19,20)
InChIKeyYEUPQMYEHSPYKC-UHFFFAOYSA-N
XLogP4.04
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylthiophen-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-methylthiophen-2-yl)phenyl]benzenesulfonamide (CID 23451076) is 4-[2-(4-methylthiophen-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-methylthiophen-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-methylthiophen-2-yl)phenyl]benzenesulfonamide is Cc1csc(-c2ccccc2-c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-[2-(4-methylthiophen-2-yl)phenyl]benzenesulfonamide?
The InChIKey is YEUPQMYEHSPYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S2/c1-12-10-17(21-11-12)16-5-3-2-4-15(16)13-6-8-14(9-7-13)22(18,19)20/h2-11H,1H3,(H2,18,19,20).
What are the key properties of 4-[2-(4-methylthiophen-2-yl)phenyl]benzenesulfonamide?
4-[2-(4-methylthiophen-2-yl)phenyl]benzenesulfonamide has a molecular weight of 329.45 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylthiophen-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 23451076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).