N-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylbenzenesulfonamide

C17H15NO3S2 — CID 67298934

IUPACN-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1csc(-c2cccc(O)c2)c1
InChIInChI=1S/C17H15NO3S2/c1-12-5-2-3-8-17(12)23(20,21)18-14-10-16(22-11-14)13-6-4-7-15(19)9-13/h2-11,18-19H,1H3
InChIKeyIAFXMHLCUSFNEB-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.23
Rot. Bonds4

About N-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylbenzenesulfonamide

N-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylbenzenesulfonamide (PubChem CID 67298934) has the molecular formula C17H15NO3S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylbenzenesulfonamide
PubChem CID67298934
Molecular FormulaC17H15NO3S2
Molecular Weight345.45 g/mol
Exact Mass345.05
IUPAC NameN-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1csc(-c2cccc(O)c2)c1
InChIInChI=1S/C17H15NO3S2/c1-12-5-2-3-8-17(12)23(20,21)18-14-10-16(22-11-14)13-6-4-7-15(19)9-13/h2-11,18-19H,1H3
InChIKeyIAFXMHLCUSFNEB-UHFFFAOYSA-N
XLogP4.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylbenzenesulfonamide (CID 67298934) is N-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1csc(-c2cccc(O)c2)c1.
What is the InChIKey of N-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylbenzenesulfonamide?
The InChIKey is IAFXMHLCUSFNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S2/c1-12-5-2-3-8-17(12)23(20,21)18-14-10-16(22-11-14)13-6-4-7-15(19)9-13/h2-11,18-19H,1H3.
What are the key properties of N-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylbenzenesulfonamide?
N-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylbenzenesulfonamide has a molecular weight of 345.45 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 67298934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).