5-(3-hydroxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide

C16H14N2O3S2 — CID 170510416

IUPAC5-(3-hydroxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccncc1)c1ccc(-c2cccc(O)c2)s1
InChIInChI=1S/C16H14N2O3S2/c19-14-3-1-2-13(10-14)15-4-5-16(22-15)23(20,21)18-11-12-6-8-17-9-7-12/h1-10,18-19H,11H2
InChIKeyRVCLFAYCLSOKKM-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.99
Rot. Bonds5

About 5-(3-hydroxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide

5-(3-hydroxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide (PubChem CID 170510416) has the molecular formula C16H14N2O3S2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-(3-hydroxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(3-hydroxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
PubChem CID170510416
Molecular FormulaC16H14N2O3S2
Molecular Weight346.43 g/mol
Exact Mass346.04
IUPAC Name5-(3-hydroxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccncc1)c1ccc(-c2cccc(O)c2)s1
InChIInChI=1S/C16H14N2O3S2/c19-14-3-1-2-13(10-14)15-4-5-16(22-15)23(20,21)18-11-12-6-8-17-9-7-12/h1-10,18-19H,11H2
InChIKeyRVCLFAYCLSOKKM-UHFFFAOYSA-N
XLogP2.99
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(3-hydroxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide (CID 170510416) is 5-(3-hydroxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(3-hydroxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(3-hydroxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(NCc1ccncc1)c1ccc(-c2cccc(O)c2)s1.
What is the InChIKey of 5-(3-hydroxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is RVCLFAYCLSOKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S2/c19-14-3-1-2-13(10-14)15-4-5-16(22-15)23(20,21)18-11-12-6-8-17-9-7-12/h1-10,18-19H,11H2.
What are the key properties of 5-(3-hydroxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide?
5-(3-hydroxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 346.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 170510416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).