N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide

C11H11NO3S2 — CID 2813980

IUPACN-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(CO)c1)c1cccs1
InChIInChI=1S/C11H11NO3S2/c13-8-9-3-1-4-10(7-9)12-17(14,15)11-5-2-6-16-11/h1-7,12-13H,8H2
InChIKeySKGFSPRJOOFWHT-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.04
Rot. Bonds4

About N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide

N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 2813980) has the molecular formula C11H11NO3S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide
PubChem CID2813980
Molecular FormulaC11H11NO3S2
Molecular Weight269.35 g/mol
Exact Mass269.02
IUPAC NameN-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(CO)c1)c1cccs1
InChIInChI=1S/C11H11NO3S2/c13-8-9-3-1-4-10(7-9)12-17(14,15)11-5-2-6-16-11/h1-7,12-13H,8H2
InChIKeySKGFSPRJOOFWHT-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide (CID 2813980) is N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1cccc(CO)c1)c1cccs1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is SKGFSPRJOOFWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S2/c13-8-9-3-1-4-10(7-9)12-17(14,15)11-5-2-6-16-11/h1-7,12-13H,8H2.
What are the key properties of N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide?
N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 269.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2813980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).