3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide

C12H11F2NO3S2 — CID 103916544

IUPAC3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)c1ccsc1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H11F2NO3S2/c13-10-2-1-9(5-11(10)14)20(17,18)15-6-12(16)8-3-4-19-7-8/h1-5,7,12,15-16H,6H2
InChIKeyAZVPZUBAIFWBSN-UHFFFAOYSA-N
MW319.35 g/mol
LogP2.04
Rot. Bonds5

About 3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide

3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 103916544) has the molecular formula C12H11F2NO3S2 and a molecular weight of 319.35 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID103916544
Molecular FormulaC12H11F2NO3S2
Molecular Weight319.35 g/mol
Exact Mass319.01
IUPAC Name3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)c1ccsc1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H11F2NO3S2/c13-10-2-1-9(5-11(10)14)20(17,18)15-6-12(16)8-3-4-19-7-8/h1-5,7,12,15-16H,6H2
InChIKeyAZVPZUBAIFWBSN-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103916552
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide
CID 106434406
3-amino-5-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 106434424
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496558
4-fluoro-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-methylbenzenesulfonamide
CID 99981347
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide
CID 90496616
N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrrole-3-sulfonamide
CID 114188652
4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496588
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-difluorobenzenesulfonamide
CID 90613483
N-(2-hydroxy-2-thiophen-3-ylethyl)-6-nitropyridine-3-sulfonamide
CID 106436200
4-fluoro-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]-3-methylbenzenesulfonamide
CID 97414472
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3,4-difluorobenzenesulfonamide
CID 121179528

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide (CID 103916544) is 3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide is O=S(=O)(NCC(O)c1ccsc1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is AZVPZUBAIFWBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO3S2/c13-10-2-1-9(5-11(10)14)20(17,18)15-6-12(16)8-3-4-19-7-8/h1-5,7,12,15-16H,6H2.
What are the key properties of 3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide?
3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 319.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 103916544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).