4-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzenesulfonamide

C11H16N2O6S — CID 131843395

IUPAC4-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2OC[C@@H](O)[C@H](O)[C@H]2O)cc1
InChIInChI=1S/C11H16N2O6S/c12-20(17,18)7-3-1-6(2-4-7)13-11-10(16)9(15)8(14)5-19-11/h1-4,8-11,13-16H,5H2,(H2,12,17,18)/t8-,9+,10-,11?/m1/s1
InChIKeyFGIKBEHQPSXRFZ-GZBOUJLJSA-N
MW304.32 g/mol
LogP-1.82
Rot. Bonds3

About 4-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzenesulfonamide

4-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzenesulfonamide (PubChem CID 131843395) has the molecular formula C11H16N2O6S and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzenesulfonamide
PubChem CID131843395
Molecular FormulaC11H16N2O6S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC Name4-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2OC[C@@H](O)[C@H](O)[C@H]2O)cc1
InChIInChI=1S/C11H16N2O6S/c12-20(17,18)7-3-1-6(2-4-7)13-11-10(16)9(15)8(14)5-19-11/h1-4,8-11,13-16H,5H2,(H2,12,17,18)/t8-,9+,10-,11?/m1/s1
InChIKeyFGIKBEHQPSXRFZ-GZBOUJLJSA-N
XLogP-1.82
TPSA142.11 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 5-1.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 4-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzenesulfonamide with MolForge

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Related Compounds

4-[[(2R,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzenesulfonamide
CID 71457958
4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]benzenesulfonamide
CID 23424116
(2S,3R,4S,5R)-2-[4-[chloro(difluoro)methoxy]anilino]oxane-3,4,5-triol
CID 124767321
(2S,3R,4R,5R)-2-[3-[hydroxy(oxido)amino]anilino]oxane-3,4,5-triol
CID 163181390
4-[(2-tert-butylcyclohexyl)amino]benzenesulfonamide
CID 43105411
4-[(2-aminocyclohexyl)amino]benzenesulfonamide
CID 61037515
4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide
CID 63908905
(2R,3R,4S,5S)-2-(2-nitroanilino)oxane-3,4,5-triol
CID 124728370
4-[[2-(hydroxymethyl)cyclopentyl]amino]benzenesulfonamide
CID 106362102
4-[(3-methoxycyclobutyl)amino]benzenesulfonamide
CID 106821257
1-(4-sulfamoylphenyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiourea
CID 57394771
4-[(4-tert-butylcyclohexyl)amino]benzenesulfonamide
CID 29302845

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzenesulfonamide (CID 131843395) is 4-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(NC2OC[C@@H](O)[C@H](O)[C@H]2O)cc1.
What is the InChIKey of 4-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzenesulfonamide?
The InChIKey is FGIKBEHQPSXRFZ-GZBOUJLJSA-N. The full InChI is InChI=1S/C11H16N2O6S/c12-20(17,18)7-3-1-6(2-4-7)13-11-10(16)9(15)8(14)5-19-11/h1-4,8-11,13-16H,5H2,(H2,12,17,18)/t8-,9+,10-,11?/m1/s1.
What are the key properties of 4-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzenesulfonamide?
4-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzenesulfonamide has a molecular weight of 304.32 g/mol, XLogP of -1.82, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 131843395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).