4-(1-hydroxyethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide

C13H19NO3S2 — CID 80585886

IUPAC4-(1-hydroxyethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
SMILESCC(O)c1ccc(S(=O)(=O)NCC2CCCS2)cc1
InChIInChI=1S/C13H19NO3S2/c1-10(15)11-4-6-13(7-5-11)19(16,17)14-9-12-3-2-8-18-12/h4-7,10,12,14-15H,2-3,8-9H2,1H3
InChIKeyROIGLGWBDNLWEO-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.91
Rot. Bonds5

About 4-(1-hydroxyethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide

4-(1-hydroxyethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide (PubChem CID 80585886) has the molecular formula C13H19NO3S2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
PubChem CID80585886
Molecular FormulaC13H19NO3S2
Molecular Weight301.43 g/mol
Exact Mass301.08
IUPAC Name4-(1-hydroxyethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
SMILESCC(O)c1ccc(S(=O)(=O)NCC2CCCS2)cc1
InChIInChI=1S/C13H19NO3S2/c1-10(15)11-4-6-13(7-5-11)19(16,17)14-9-12-3-2-8-18-12/h4-7,10,12,14-15H,2-3,8-9H2,1H3
InChIKeyROIGLGWBDNLWEO-UHFFFAOYSA-N
XLogP1.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80613183
4-(2-aminoethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 80586512
N-(2-cyclohexylethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 60917467
1-(4-methylsulfonylphenyl)-N-(thian-2-ylmethyl)ethanamine
CID 80595105
4-(propylamino)-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80609830
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(1-hydroxyethyl)benzenesulfonamide
CID 60855885
3-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071641
2-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 43568111
4-amino-3-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 81438293
4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546344
3-(ethylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071571
4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide
CID 43298854

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(1-hydroxyethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide (CID 80585886) is 4-(1-hydroxyethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(1-hydroxyethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide is CC(O)c1ccc(S(=O)(=O)NCC2CCCS2)cc1.
What is the InChIKey of 4-(1-hydroxyethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is ROIGLGWBDNLWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S2/c1-10(15)11-4-6-13(7-5-11)19(16,17)14-9-12-3-2-8-18-12/h4-7,10,12,14-15H,2-3,8-9H2,1H3.
What are the key properties of 4-(1-hydroxyethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide?
4-(1-hydroxyethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 301.43 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 80585886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).