N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide

C13H15NO3S2 — CID 71787848

IUPACN-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(O)c1cccs1)c1ccccc1
InChIInChI=1S/C13H15NO3S2/c15-12(13-7-4-10-18-13)8-9-14-19(16,17)11-5-2-1-3-6-11/h1-7,10,12,14-15H,8-9H2
InChIKeyFTMWOZXJLXPDEA-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.15
Rot. Bonds6

About N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide

N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide (PubChem CID 71787848) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide
PubChem CID71787848
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC NameN-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(O)c1cccs1)c1ccccc1
InChIInChI=1S/C13H15NO3S2/c15-12(13-7-4-10-18-13)8-9-14-19(16,17)11-5-2-1-3-6-11/h1-7,10,12,14-15H,8-9H2
InChIKeyFTMWOZXJLXPDEA-UHFFFAOYSA-N
XLogP2.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide (CID 71787848) is N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide is O=S(=O)(NCCC(O)c1cccs1)c1ccccc1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide?
The InChIKey is FTMWOZXJLXPDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c15-12(13-7-4-10-18-13)8-9-14-19(16,17)11-5-2-1-3-6-11/h1-7,10,12,14-15H,8-9H2.
What are the key properties of N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide?
N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 71787848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).