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

C11H11NO3S2 — CID 81258558

IUPAC3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccs1)c1cccc(O)c1
InChIInChI=1S/C11H11NO3S2/c13-9-3-1-5-11(7-9)17(14,15)12-8-10-4-2-6-16-10/h1-7,12-13H,8H2
InChIKeyMZEOTNZZSFHNCS-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.93
Rot. Bonds4

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

3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 81258558) has the molecular formula C11H11NO3S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID81258558
Molecular FormulaC11H11NO3S2
Molecular Weight269.35 g/mol
Exact Mass269.02
IUPAC Name3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccs1)c1cccc(O)c1
InChIInChI=1S/C11H11NO3S2/c13-9-3-1-5-11(7-9)17(14,15)12-8-10-4-2-6-16-10/h1-7,12-13H,8H2
InChIKeyMZEOTNZZSFHNCS-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(thiophen-2-ylmethyl)-3-[3-(thiophen-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 3453501
3-methylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47154675
3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4713669
3-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43363753
3-[(pyridine-3-carbonylamino)carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35017463
2-methyl-5-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 2447471
N-ethyl-N-methyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 134063264
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 56581239
N-[2-[di(propan-2-yl)amino]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 30480977
3-(methylamino)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 82846661
N-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26444819

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 81258558) is 3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cccs1)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is MZEOTNZZSFHNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S2/c13-9-3-1-5-11(7-9)17(14,15)12-8-10-4-2-6-16-10/h1-7,12-13H,8H2.
What are the key properties of 3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 269.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 81258558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).