3-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxybenzenesulfonamide

C13H14FNO4S2 — CID 90500313

IUPAC3-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(O)c2cccs2)cc1F
InChIInChI=1S/C13H14FNO4S2/c1-19-12-5-4-9(7-10(12)14)21(17,18)15-8-11(16)13-3-2-6-20-13/h2-7,11,15-16H,8H2,1H3
InChIKeySOANVYHVENHWEX-UHFFFAOYSA-N
MW331.39 g/mol
LogP1.91
Rot. Bonds6

About 3-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxybenzenesulfonamide

3-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxybenzenesulfonamide (PubChem CID 90500313) has the molecular formula C13H14FNO4S2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxybenzenesulfonamide
PubChem CID90500313
Molecular FormulaC13H14FNO4S2
Molecular Weight331.39 g/mol
Exact Mass331.03
IUPAC Name3-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(O)c2cccs2)cc1F
InChIInChI=1S/C13H14FNO4S2/c1-19-12-5-4-9(7-10(12)14)21(17,18)15-8-11(16)13-3-2-6-20-13/h2-7,11,15-16H,8H2,1H3
InChIKeySOANVYHVENHWEX-UHFFFAOYSA-N
XLogP1.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3,4-dimethoxybenzenesulfonamide
CID 95967218
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 18574230
3-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzenesulfonamide
CID 90534836
3-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxybenzenesulfonamide
CID 95367229
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 30835815
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-difluorobenzenesulfonamide
CID 90613483
3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824953
N-(2-hydroxy-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzenesulfonamide
CID 110663309
3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 64912268
N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110663305
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110663311
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 90496874

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxybenzenesulfonamide (CID 90500313) is 3-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(O)c2cccs2)cc1F.
What is the InChIKey of 3-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxybenzenesulfonamide?
The InChIKey is SOANVYHVENHWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4S2/c1-19-12-5-4-9(7-10(12)14)21(17,18)15-8-11(16)13-3-2-6-20-13/h2-7,11,15-16H,8H2,1H3.
What are the key properties of 3-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxybenzenesulfonamide?
3-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxybenzenesulfonamide has a molecular weight of 331.39 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 90500313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).