9-(benzenesulfonyl)carbazole-1,2,6,7-tetrol

C18H13NO6S — CID 5328691

IUPAC9-(benzenesulfonyl)carbazole-1,2,6,7-tetrol
SMILESO=S(=O)(c1ccccc1)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21
InChIInChI=1S/C18H13NO6S/c20-14-7-6-11-12-8-15(21)16(22)9-13(12)19(17(11)18(14)23)26(24,25)10-4-2-1-3-5-10/h1-9,20-23H
InChIKeyKLGNLOILGBXFQG-UHFFFAOYSA-N
MW371.37 g/mol
LogP2.85
Rot. Bonds2

About 9-(benzenesulfonyl)carbazole-1,2,6,7-tetrol

9-(benzenesulfonyl)carbazole-1,2,6,7-tetrol (PubChem CID 5328691) has the molecular formula C18H13NO6S and a molecular weight of 371.37 g/mol. Its IUPAC name is 9-(benzenesulfonyl)carbazole-1,2,6,7-tetrol.

Molecular Properties

Compound Name9-(benzenesulfonyl)carbazole-1,2,6,7-tetrol
PubChem CID5328691
Molecular FormulaC18H13NO6S
Molecular Weight371.37 g/mol
Exact Mass371.05
IUPAC Name9-(benzenesulfonyl)carbazole-1,2,6,7-tetrol
SMILESO=S(=O)(c1ccccc1)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21
InChIInChI=1S/C18H13NO6S/c20-14-7-6-11-12-8-15(21)16(22)9-13(12)19(17(11)18(14)23)26(24,25)10-4-2-1-3-5-10/h1-9,20-23H
InChIKeyKLGNLOILGBXFQG-UHFFFAOYSA-N
XLogP2.85
TPSA119.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 52.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)carbazole-1,2,6,7-tetrol?
The IUPAC name of 9-(benzenesulfonyl)carbazole-1,2,6,7-tetrol (CID 5328691) is 9-(benzenesulfonyl)carbazole-1,2,6,7-tetrol.
What is the SMILES notation for 9-(benzenesulfonyl)carbazole-1,2,6,7-tetrol?
The canonical SMILES for 9-(benzenesulfonyl)carbazole-1,2,6,7-tetrol is O=S(=O)(c1ccccc1)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21.
What is the InChIKey of 9-(benzenesulfonyl)carbazole-1,2,6,7-tetrol?
The InChIKey is KLGNLOILGBXFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO6S/c20-14-7-6-11-12-8-15(21)16(22)9-13(12)19(17(11)18(14)23)26(24,25)10-4-2-1-3-5-10/h1-9,20-23H.
What are the key properties of 9-(benzenesulfonyl)carbazole-1,2,6,7-tetrol?
9-(benzenesulfonyl)carbazole-1,2,6,7-tetrol has a molecular weight of 371.37 g/mol, XLogP of 2.85, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)carbazole-1,2,6,7-tetrol is sourced from PubChem (CID 5328691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).