5-chloro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxybenzenesulfonamide

C13H14ClNO4S2 — CID 52906915

IUPAC5-chloro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](O)c1ccsc1
InChIInChI=1S/C13H14ClNO4S2/c1-19-12-3-2-10(14)6-13(12)21(17,18)15-7-11(16)9-4-5-20-8-9/h2-6,8,11,15-16H,7H2,1H3/t11-/m1/s1
InChIKeySPQQNWZAOSGIOT-LLVKDONJSA-N
MW347.85 g/mol
LogP2.42
Rot. Bonds6

About 5-chloro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxybenzenesulfonamide

5-chloro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxybenzenesulfonamide (PubChem CID 52906915) has the molecular formula C13H14ClNO4S2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxybenzenesulfonamide
PubChem CID52906915
Molecular FormulaC13H14ClNO4S2
Molecular Weight347.85 g/mol
Exact Mass347.01
IUPAC Name5-chloro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](O)c1ccsc1
InChIInChI=1S/C13H14ClNO4S2/c1-19-12-3-2-10(14)6-13(12)21(17,18)15-7-11(16)9-4-5-20-8-9/h2-6,8,11,15-16H,7H2,1H3/t11-/m1/s1
InChIKeySPQQNWZAOSGIOT-LLVKDONJSA-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-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide
CID 90496616
5-chloro-N-[2-(furan-3-yl)-2-hydroxyethyl]-2-methoxybenzenesulfonamide
CID 71798368
5-chloro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 122161506
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide
CID 75477657
5-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-methylbenzenesulfonamide
CID 121132222
5-chloro-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methoxybenzenesulfonamide
CID 95367250
5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 100551051
5-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbenzenesulfonamide
CID 106434445
5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824319
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496558
3-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide
CID 86264143
3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 103916544

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxybenzenesulfonamide (CID 52906915) is 5-chloro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](O)c1ccsc1.
What is the InChIKey of 5-chloro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxybenzenesulfonamide?
The InChIKey is SPQQNWZAOSGIOT-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14ClNO4S2/c1-19-12-3-2-10(14)6-13(12)21(17,18)15-7-11(16)9-4-5-20-8-9/h2-6,8,11,15-16H,7H2,1H3/t11-/m1/s1.
What are the key properties of 5-chloro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-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 5-chloro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 52906915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).