N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]methanesulfonamide

C13H15NO3S2 — CID 86264192

IUPACN-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(C(O)c2ccccc2)s1
InChIInChI=1S/C13H15NO3S2/c1-19(16,17)14-9-11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-8,13-15H,9H2,1H3
InChIKeyJRQNGZINPXNGSQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.88
Rot. Bonds5

About N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]methanesulfonamide

N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]methanesulfonamide (PubChem CID 86264192) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]methanesulfonamide
PubChem CID86264192
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC NameN-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(C(O)c2ccccc2)s1
InChIInChI=1S/C13H15NO3S2/c1-19(16,17)14-9-11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-8,13-15H,9H2,1H3
InChIKeyJRQNGZINPXNGSQ-UHFFFAOYSA-N
XLogP1.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]methanesulfonamide (CID 86264192) is N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NCc1ccc(C(O)c2ccccc2)s1.
What is the InChIKey of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]methanesulfonamide?
The InChIKey is JRQNGZINPXNGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c1-19(16,17)14-9-11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-8,13-15H,9H2,1H3.
What are the key properties of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]methanesulfonamide?
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]methanesulfonamide has a molecular weight of 297.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 86264192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).