phenyl N-(1,3,6,7-tetramethoxy-9H-xanthen-4-yl)sulfamate

C23H23NO8S — CID 141167772

IUPACphenyl N-(1,3,6,7-tetramethoxy-9H-xanthen-4-yl)sulfamate
SMILESCOc1cc2c(cc1OC)Oc1c(c(OC)cc(OC)c1NS(=O)(=O)Oc1ccccc1)C2
InChIInChI=1S/C23H23NO8S/c1-27-18-13-21(30-4)22(24-33(25,26)32-15-8-6-5-7-9-15)23-16(18)10-14-11-19(28-2)20(29-3)12-17(14)31-23/h5-9,11-13,24H,10H2,1-4H3
InChIKeyPVEZDSGCOJRQKJ-UHFFFAOYSA-N
MW473.50 g/mol
LogP4.15
Rot. Bonds8

About phenyl N-(1,3,6,7-tetramethoxy-9H-xanthen-4-yl)sulfamate

phenyl N-(1,3,6,7-tetramethoxy-9H-xanthen-4-yl)sulfamate (PubChem CID 141167772) has the molecular formula C23H23NO8S and a molecular weight of 473.50 g/mol. Its IUPAC name is phenyl N-(1,3,6,7-tetramethoxy-9H-xanthen-4-yl)sulfamate.

Molecular Properties

Compound Namephenyl N-(1,3,6,7-tetramethoxy-9H-xanthen-4-yl)sulfamate
PubChem CID141167772
Molecular FormulaC23H23NO8S
Molecular Weight473.50 g/mol
Exact Mass473.11
IUPAC Namephenyl N-(1,3,6,7-tetramethoxy-9H-xanthen-4-yl)sulfamate
SMILESCOc1cc2c(cc1OC)Oc1c(c(OC)cc(OC)c1NS(=O)(=O)Oc1ccccc1)C2
InChIInChI=1S/C23H23NO8S/c1-27-18-13-21(30-4)22(24-33(25,26)32-15-8-6-5-7-9-15)23-16(18)10-14-11-19(28-2)20(29-3)12-17(14)31-23/h5-9,11-13,24H,10H2,1-4H3
InChIKeyPVEZDSGCOJRQKJ-UHFFFAOYSA-N
XLogP4.15
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(1,3,6,7-tetramethoxy-9H-xanthen-4-yl)sulfamate?
The IUPAC name of phenyl N-(1,3,6,7-tetramethoxy-9H-xanthen-4-yl)sulfamate (CID 141167772) is phenyl N-(1,3,6,7-tetramethoxy-9H-xanthen-4-yl)sulfamate.
What is the SMILES notation for phenyl N-(1,3,6,7-tetramethoxy-9H-xanthen-4-yl)sulfamate?
The canonical SMILES for phenyl N-(1,3,6,7-tetramethoxy-9H-xanthen-4-yl)sulfamate is COc1cc2c(cc1OC)Oc1c(c(OC)cc(OC)c1NS(=O)(=O)Oc1ccccc1)C2.
What is the InChIKey of phenyl N-(1,3,6,7-tetramethoxy-9H-xanthen-4-yl)sulfamate?
The InChIKey is PVEZDSGCOJRQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO8S/c1-27-18-13-21(30-4)22(24-33(25,26)32-15-8-6-5-7-9-15)23-16(18)10-14-11-19(28-2)20(29-3)12-17(14)31-23/h5-9,11-13,24H,10H2,1-4H3.
What are the key properties of phenyl N-(1,3,6,7-tetramethoxy-9H-xanthen-4-yl)sulfamate?
phenyl N-(1,3,6,7-tetramethoxy-9H-xanthen-4-yl)sulfamate has a molecular weight of 473.50 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(1,3,6,7-tetramethoxy-9H-xanthen-4-yl)sulfamate is sourced from PubChem (CID 141167772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).