2-[2-(hydroxymethyl)-5-[hydroxy(phenyl)methyl]phenyl]thiophene-3-sulfonamide

C18H17NO4S2 — CID 19089902

IUPAC2-[2-(hydroxymethyl)-5-[hydroxy(phenyl)methyl]phenyl]thiophene-3-sulfonamide
SMILESNS(=O)(=O)c1ccsc1-c1cc(C(O)c2ccccc2)ccc1CO
InChIInChI=1S/C18H17NO4S2/c19-25(22,23)16-8-9-24-18(16)15-10-13(6-7-14(15)11-20)17(21)12-4-2-1-3-5-12/h1-10,17,20-21H,11H2,(H2,19,22,23)
InChIKeyAQDJMRSQCVVNBJ-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.64
Rot. Bonds5

About 2-[2-(hydroxymethyl)-5-[hydroxy(phenyl)methyl]phenyl]thiophene-3-sulfonamide

2-[2-(hydroxymethyl)-5-[hydroxy(phenyl)methyl]phenyl]thiophene-3-sulfonamide (PubChem CID 19089902) has the molecular formula C18H17NO4S2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-5-[hydroxy(phenyl)methyl]phenyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-5-[hydroxy(phenyl)methyl]phenyl]thiophene-3-sulfonamide
PubChem CID19089902
Molecular FormulaC18H17NO4S2
Molecular Weight375.47 g/mol
Exact Mass375.06
IUPAC Name2-[2-(hydroxymethyl)-5-[hydroxy(phenyl)methyl]phenyl]thiophene-3-sulfonamide
SMILESNS(=O)(=O)c1ccsc1-c1cc(C(O)c2ccccc2)ccc1CO
InChIInChI=1S/C18H17NO4S2/c19-25(22,23)16-8-9-24-18(16)15-10-13(6-7-14(15)11-20)17(21)12-4-2-1-3-5-12/h1-10,17,20-21H,11H2,(H2,19,22,23)
InChIKeyAQDJMRSQCVVNBJ-UHFFFAOYSA-N
XLogP2.64
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-5-[hydroxy(phenyl)methyl]phenyl]thiophene-3-sulfonamide?
The IUPAC name of 2-[2-(hydroxymethyl)-5-[hydroxy(phenyl)methyl]phenyl]thiophene-3-sulfonamide (CID 19089902) is 2-[2-(hydroxymethyl)-5-[hydroxy(phenyl)methyl]phenyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-5-[hydroxy(phenyl)methyl]phenyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-5-[hydroxy(phenyl)methyl]phenyl]thiophene-3-sulfonamide is NS(=O)(=O)c1ccsc1-c1cc(C(O)c2ccccc2)ccc1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)-5-[hydroxy(phenyl)methyl]phenyl]thiophene-3-sulfonamide?
The InChIKey is AQDJMRSQCVVNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S2/c19-25(22,23)16-8-9-24-18(16)15-10-13(6-7-14(15)11-20)17(21)12-4-2-1-3-5-12/h1-10,17,20-21H,11H2,(H2,19,22,23).
What are the key properties of 2-[2-(hydroxymethyl)-5-[hydroxy(phenyl)methyl]phenyl]thiophene-3-sulfonamide?
2-[2-(hydroxymethyl)-5-[hydroxy(phenyl)methyl]phenyl]thiophene-3-sulfonamide has a molecular weight of 375.47 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-5-[hydroxy(phenyl)methyl]phenyl]thiophene-3-sulfonamide is sourced from PubChem (CID 19089902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).