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

C13H14ClNO4S2 — CID 90496616

IUPAC3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(O)c2ccsc2)cc1Cl
InChIInChI=1S/C13H14ClNO4S2/c1-19-13-3-2-10(6-11(13)14)21(17,18)15-7-12(16)9-4-5-20-8-9/h2-6,8,12,15-16H,7H2,1H3
InChIKeyHZSBFJOIZWPSIX-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.42
Rot. Bonds6

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

3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide (PubChem CID 90496616) has the molecular formula C13H14ClNO4S2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide
PubChem CID90496616
Molecular FormulaC13H14ClNO4S2
Molecular Weight347.85 g/mol
Exact Mass347.01
IUPAC Name3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(O)c2ccsc2)cc1Cl
InChIInChI=1S/C13H14ClNO4S2/c1-19-13-3-2-10(6-11(13)14)21(17,18)15-7-12(16)9-4-5-20-8-9/h2-6,8,12,15-16H,7H2,1H3
InChIKeyHZSBFJOIZWPSIX-UHFFFAOYSA-N
XLogP2.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide
CID 86264143
5-chloro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxybenzenesulfonamide
CID 52906915
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 16933285
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
3-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-methoxybenzenesulfonamide
CID 122160833
3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 103916544
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide
CID 106434406
3-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzenesulfonamide
CID 103835165
3-chloro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 90496345
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)-4-methoxybenzenesulfonamide
CID 103835507
4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496588
3-chloro-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-4-methoxybenzenesulfonamide
CID 97105738

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide (CID 90496616) is 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(O)c2ccsc2)cc1Cl.
What is the InChIKey of 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide?
The InChIKey is HZSBFJOIZWPSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4S2/c1-19-13-3-2-10(6-11(13)14)21(17,18)15-7-12(16)9-4-5-20-8-9/h2-6,8,12,15-16H,7H2,1H3.
What are the key properties of 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide?
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide has a molecular weight of 347.85 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 90496616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).