(11-oxo-8,9,10,12-tetrahydro-7H-chrysen-2-yl) sulfamate

C18H17NO4S — CID 20817636

IUPAC(11-oxo-8,9,10,12-tetrahydro-7H-chrysen-2-yl) sulfamate
SMILESNS(=O)(=O)Oc1ccc2c(c1)CC(=O)c1c-2ccc2c1CCCC2
InChIInChI=1S/C18H17NO4S/c19-24(21,22)23-13-6-8-14-12(9-13)10-17(20)18-15-4-2-1-3-11(15)5-7-16(14)18/h5-9H,1-4,10H2,(H2,19,21,22)
InChIKeyOFULRLMHPSORBX-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.55
Rot. Bonds2

About (11-oxo-8,9,10,12-tetrahydro-7H-chrysen-2-yl) sulfamate

(11-oxo-8,9,10,12-tetrahydro-7H-chrysen-2-yl) sulfamate (PubChem CID 20817636) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is (11-oxo-8,9,10,12-tetrahydro-7H-chrysen-2-yl) sulfamate.

Molecular Properties

Compound Name(11-oxo-8,9,10,12-tetrahydro-7H-chrysen-2-yl) sulfamate
PubChem CID20817636
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC Name(11-oxo-8,9,10,12-tetrahydro-7H-chrysen-2-yl) sulfamate
SMILESNS(=O)(=O)Oc1ccc2c(c1)CC(=O)c1c-2ccc2c1CCCC2
InChIInChI=1S/C18H17NO4S/c19-24(21,22)23-13-6-8-14-12(9-13)10-17(20)18-15-4-2-1-3-11(15)5-7-16(14)18/h5-9H,1-4,10H2,(H2,19,21,22)
InChIKeyOFULRLMHPSORBX-UHFFFAOYSA-N
XLogP2.55
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (11-oxo-8,9,10,12-tetrahydro-7H-chrysen-2-yl) sulfamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (11-oxo-8,9,10,12-tetrahydro-7H-chrysen-2-yl) sulfamate?
The IUPAC name of (11-oxo-8,9,10,12-tetrahydro-7H-chrysen-2-yl) sulfamate (CID 20817636) is (11-oxo-8,9,10,12-tetrahydro-7H-chrysen-2-yl) sulfamate.
What is the SMILES notation for (11-oxo-8,9,10,12-tetrahydro-7H-chrysen-2-yl) sulfamate?
The canonical SMILES for (11-oxo-8,9,10,12-tetrahydro-7H-chrysen-2-yl) sulfamate is NS(=O)(=O)Oc1ccc2c(c1)CC(=O)c1c-2ccc2c1CCCC2.
What is the InChIKey of (11-oxo-8,9,10,12-tetrahydro-7H-chrysen-2-yl) sulfamate?
The InChIKey is OFULRLMHPSORBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S/c19-24(21,22)23-13-6-8-14-12(9-13)10-17(20)18-15-4-2-1-3-11(15)5-7-16(14)18/h5-9H,1-4,10H2,(H2,19,21,22).
What are the key properties of (11-oxo-8,9,10,12-tetrahydro-7H-chrysen-2-yl) sulfamate?
(11-oxo-8,9,10,12-tetrahydro-7H-chrysen-2-yl) sulfamate has a molecular weight of 343.40 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11-oxo-8,9,10,12-tetrahydro-7H-chrysen-2-yl) sulfamate is sourced from PubChem (CID 20817636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).