2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N,N-dimethylindole-1-sulfonamide

C15H20N2O6S — CID 100938517

IUPAC2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N,N-dimethylindole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1c([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc2ccccc21
InChIInChI=1S/C15H20N2O6S/c1-16(2)24(21,22)17-10-6-4-3-5-9(10)7-11(17)15-14(20)13(19)12(8-18)23-15/h3-7,12-15,18-20H,8H2,1-2H3/t12-,13-,14-,15+/m1/s1
InChIKeyCMBYSJUIHYTWAB-TUVASFSCSA-N
MW356.40 g/mol
LogP-0.55
Rot. Bonds4

About 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N,N-dimethylindole-1-sulfonamide

2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N,N-dimethylindole-1-sulfonamide (PubChem CID 100938517) has the molecular formula C15H20N2O6S and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N,N-dimethylindole-1-sulfonamide.

Molecular Properties

Compound Name2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N,N-dimethylindole-1-sulfonamide
PubChem CID100938517
Molecular FormulaC15H20N2O6S
Molecular Weight356.40 g/mol
Exact Mass356.10
IUPAC Name2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N,N-dimethylindole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1c([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc2ccccc21
InChIInChI=1S/C15H20N2O6S/c1-16(2)24(21,22)17-10-6-4-3-5-9(10)7-11(17)15-14(20)13(19)12(8-18)23-15/h3-7,12-15,18-20H,8H2,1-2H3/t12-,13-,14-,15+/m1/s1
InChIKeyCMBYSJUIHYTWAB-TUVASFSCSA-N
XLogP-0.55
TPSA112.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N,N-dimethylindole-1-sulfonamide with MolForge

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Related Compounds

(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-indol-2-yl)oxolane-3,4-diol
CID 11736785
(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene
CID 68554455
(2R,3S,4R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolane-3,4-diol;naphthalene
CID 162037384
(3S,6S)-2-(hydroxymethyl)-6-phenyloxane-3,4,5-triol
CID 134968723
2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazo[1,5-a]indole-1,3-dione
CID 102333379
(2S,3R,4S,5R)-2-(1,5-dimethyl-1,2,4-triazol-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 10609441
ethyl 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 102427718
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-indol-1-yloxyoxane-3,4,5-triol
CID 173129842
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-indol-1-yloxyoxane-3,4,5-triol
CID 20631341
3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]benzamide
CID 46875500
2-(hydroxymethyl)-6-(3-methylphenyl)oxane-3,4,5-triol
CID 123471125
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;pentaphene
CID 159584072

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N,N-dimethylindole-1-sulfonamide?
The IUPAC name of 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N,N-dimethylindole-1-sulfonamide (CID 100938517) is 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N,N-dimethylindole-1-sulfonamide.
What is the SMILES notation for 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N,N-dimethylindole-1-sulfonamide?
The canonical SMILES for 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N,N-dimethylindole-1-sulfonamide is CN(C)S(=O)(=O)n1c([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc2ccccc21.
What is the InChIKey of 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N,N-dimethylindole-1-sulfonamide?
The InChIKey is CMBYSJUIHYTWAB-TUVASFSCSA-N. The full InChI is InChI=1S/C15H20N2O6S/c1-16(2)24(21,22)17-10-6-4-3-5-9(10)7-11(17)15-14(20)13(19)12(8-18)23-15/h3-7,12-15,18-20H,8H2,1-2H3/t12-,13-,14-,15+/m1/s1.
What are the key properties of 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N,N-dimethylindole-1-sulfonamide?
2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N,N-dimethylindole-1-sulfonamide has a molecular weight of 356.40 g/mol, XLogP of -0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N,N-dimethylindole-1-sulfonamide is sourced from PubChem (CID 100938517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).