N-[3-[5-(3-hydroxyphenyl)thiophen-2-yl]phenyl]methanesulfonamide

C17H15NO3S2 — CID 25192481

IUPACN-[3-[5-(3-hydroxyphenyl)thiophen-2-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc(-c3cccc(O)c3)s2)c1
InChIInChI=1S/C17H15NO3S2/c1-23(20,21)18-14-6-2-4-12(10-14)16-8-9-17(22-16)13-5-3-7-15(19)11-13/h2-11,18-19H,1H3
InChIKeyYAKBGFWYAHMGDP-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.16
Rot. Bonds4

About N-[3-[5-(3-hydroxyphenyl)thiophen-2-yl]phenyl]methanesulfonamide

N-[3-[5-(3-hydroxyphenyl)thiophen-2-yl]phenyl]methanesulfonamide (PubChem CID 25192481) has the molecular formula C17H15NO3S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[3-[5-(3-hydroxyphenyl)thiophen-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[5-(3-hydroxyphenyl)thiophen-2-yl]phenyl]methanesulfonamide
PubChem CID25192481
Molecular FormulaC17H15NO3S2
Molecular Weight345.45 g/mol
Exact Mass345.05
IUPAC NameN-[3-[5-(3-hydroxyphenyl)thiophen-2-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc(-c3cccc(O)c3)s2)c1
InChIInChI=1S/C17H15NO3S2/c1-23(20,21)18-14-6-2-4-12(10-14)16-8-9-17(22-16)13-5-3-7-15(19)11-13/h2-11,18-19H,1H3
InChIKeyYAKBGFWYAHMGDP-UHFFFAOYSA-N
XLogP4.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3-hydroxyphenyl)thiophen-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[5-(3-hydroxyphenyl)thiophen-2-yl]phenyl]methanesulfonamide (CID 25192481) is N-[3-[5-(3-hydroxyphenyl)thiophen-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[5-(3-hydroxyphenyl)thiophen-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[5-(3-hydroxyphenyl)thiophen-2-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2ccc(-c3cccc(O)c3)s2)c1.
What is the InChIKey of N-[3-[5-(3-hydroxyphenyl)thiophen-2-yl]phenyl]methanesulfonamide?
The InChIKey is YAKBGFWYAHMGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S2/c1-23(20,21)18-14-6-2-4-12(10-14)16-8-9-17(22-16)13-5-3-7-15(19)11-13/h2-11,18-19H,1H3.
What are the key properties of N-[3-[5-(3-hydroxyphenyl)thiophen-2-yl]phenyl]methanesulfonamide?
N-[3-[5-(3-hydroxyphenyl)thiophen-2-yl]phenyl]methanesulfonamide has a molecular weight of 345.45 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3-hydroxyphenyl)thiophen-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 25192481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).