5-[hydroxy-(4-hydroxyphenyl)methyl]thiophene-3-sulfonamide

C11H11NO4S2 — CID 10708264

IUPAC5-[hydroxy-(4-hydroxyphenyl)methyl]thiophene-3-sulfonamide
SMILESNS(=O)(=O)c1csc(C(O)c2ccc(O)cc2)c1
InChIInChI=1S/C11H11NO4S2/c12-18(15,16)9-5-10(17-6-9)11(14)7-1-3-8(13)4-2-7/h1-6,11,13-14H,(H2,12,15,16)
InChIKeyNXQVRXDFOHZZTA-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.18
Rot. Bonds3

About 5-[hydroxy-(4-hydroxyphenyl)methyl]thiophene-3-sulfonamide

5-[hydroxy-(4-hydroxyphenyl)methyl]thiophene-3-sulfonamide (PubChem CID 10708264) has the molecular formula C11H11NO4S2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-[hydroxy-(4-hydroxyphenyl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-[hydroxy-(4-hydroxyphenyl)methyl]thiophene-3-sulfonamide
PubChem CID10708264
Molecular FormulaC11H11NO4S2
Molecular Weight285.35 g/mol
Exact Mass285.01
IUPAC Name5-[hydroxy-(4-hydroxyphenyl)methyl]thiophene-3-sulfonamide
SMILESNS(=O)(=O)c1csc(C(O)c2ccc(O)cc2)c1
InChIInChI=1S/C11H11NO4S2/c12-18(15,16)9-5-10(17-6-9)11(14)7-1-3-8(13)4-2-7/h1-6,11,13-14H,(H2,12,15,16)
InChIKeyNXQVRXDFOHZZTA-UHFFFAOYSA-N
XLogP1.18
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy-(4-hydroxyphenyl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 5-[hydroxy-(4-hydroxyphenyl)methyl]thiophene-3-sulfonamide (CID 10708264) is 5-[hydroxy-(4-hydroxyphenyl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-[hydroxy-(4-hydroxyphenyl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-[hydroxy-(4-hydroxyphenyl)methyl]thiophene-3-sulfonamide is NS(=O)(=O)c1csc(C(O)c2ccc(O)cc2)c1.
What is the InChIKey of 5-[hydroxy-(4-hydroxyphenyl)methyl]thiophene-3-sulfonamide?
The InChIKey is NXQVRXDFOHZZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S2/c12-18(15,16)9-5-10(17-6-9)11(14)7-1-3-8(13)4-2-7/h1-6,11,13-14H,(H2,12,15,16).
What are the key properties of 5-[hydroxy-(4-hydroxyphenyl)methyl]thiophene-3-sulfonamide?
5-[hydroxy-(4-hydroxyphenyl)methyl]thiophene-3-sulfonamide has a molecular weight of 285.35 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy-(4-hydroxyphenyl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 10708264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).