5-chloro-N-[2-(furan-3-yl)-2-hydroxyethyl]-2-methoxybenzenesulfonamide

C13H14ClNO5S — CID 71798368

IUPAC5-chloro-N-[2-(furan-3-yl)-2-hydroxyethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCC(O)c1ccoc1
InChIInChI=1S/C13H14ClNO5S/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
InChIKeyGCVFDJAGAJNDHY-UHFFFAOYSA-N
MW331.78 g/mol
LogP1.95
Rot. Bonds6

About 5-chloro-N-[2-(furan-3-yl)-2-hydroxyethyl]-2-methoxybenzenesulfonamide

5-chloro-N-[2-(furan-3-yl)-2-hydroxyethyl]-2-methoxybenzenesulfonamide (PubChem CID 71798368) has the molecular formula C13H14ClNO5S and a molecular weight of 331.78 g/mol. Its IUPAC name is 5-chloro-N-[2-(furan-3-yl)-2-hydroxyethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(furan-3-yl)-2-hydroxyethyl]-2-methoxybenzenesulfonamide
PubChem CID71798368
Molecular FormulaC13H14ClNO5S
Molecular Weight331.78 g/mol
Exact Mass331.03
IUPAC Name5-chloro-N-[2-(furan-3-yl)-2-hydroxyethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCC(O)c1ccoc1
InChIInChI=1S/C13H14ClNO5S/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
InChIKeyGCVFDJAGAJNDHY-UHFFFAOYSA-N
XLogP1.95
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxybenzenesulfonamide
CID 52906915
5-chloro-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methoxybenzenesulfonamide
CID 95367250
N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 71804459
5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 100551051
5-chloro-N-[[4-(furan-3-yl)phenyl]methyl]-2-methoxybenzenesulfonamide
CID 119103357
5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824319
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 110287793
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
CID 82083952
propan-2-yl 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetate
CID 3853421
5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 686051
(2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935815

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(furan-3-yl)-2-hydroxyethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[2-(furan-3-yl)-2-hydroxyethyl]-2-methoxybenzenesulfonamide (CID 71798368) is 5-chloro-N-[2-(furan-3-yl)-2-hydroxyethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(furan-3-yl)-2-hydroxyethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[2-(furan-3-yl)-2-hydroxyethyl]-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCC(O)c1ccoc1.
What is the InChIKey of 5-chloro-N-[2-(furan-3-yl)-2-hydroxyethyl]-2-methoxybenzenesulfonamide?
The InChIKey is GCVFDJAGAJNDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO5S/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.
What are the key properties of 5-chloro-N-[2-(furan-3-yl)-2-hydroxyethyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[2-(furan-3-yl)-2-hydroxyethyl]-2-methoxybenzenesulfonamide has a molecular weight of 331.78 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(furan-3-yl)-2-hydroxyethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 71798368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).