(9-oxo-10H-phenanthren-2-yl) sulfamate

C14H11NO4S — CID 20817602

IUPAC(9-oxo-10H-phenanthren-2-yl) sulfamate
SMILESNS(=O)(=O)Oc1ccc2c(c1)CC(=O)c1ccccc1-2
InChIInChI=1S/C14H11NO4S/c15-20(17,18)19-10-5-6-11-9(7-10)8-14(16)13-4-2-1-3-12(11)13/h1-7H,8H2,(H2,15,17,18)
InChIKeyXXBQSJWAOFNJJC-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.67
Rot. Bonds2

About (9-oxo-10H-phenanthren-2-yl) sulfamate

(9-oxo-10H-phenanthren-2-yl) sulfamate (PubChem CID 20817602) has the molecular formula C14H11NO4S and a molecular weight of 289.31 g/mol. Its IUPAC name is (9-oxo-10H-phenanthren-2-yl) sulfamate.

Molecular Properties

Compound Name(9-oxo-10H-phenanthren-2-yl) sulfamate
PubChem CID20817602
Molecular FormulaC14H11NO4S
Molecular Weight289.31 g/mol
Exact Mass289.04
IUPAC Name(9-oxo-10H-phenanthren-2-yl) sulfamate
SMILESNS(=O)(=O)Oc1ccc2c(c1)CC(=O)c1ccccc1-2
InChIInChI=1S/C14H11NO4S/c15-20(17,18)19-10-5-6-11-9(7-10)8-14(16)13-4-2-1-3-12(11)13/h1-7H,8H2,(H2,15,17,18)
InChIKeyXXBQSJWAOFNJJC-UHFFFAOYSA-N
XLogP1.67
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(11-oxo-8,9,10,12-tetrahydro-7H-chrysen-2-yl) sulfamate
CID 20817636
7-methoxy-10H-phenanthren-9-one
CID 135042116
[(2R)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl] sulfamate
CID 59032849
2,7-bis[2-(dimethylamino)ethoxy]-10H-phenanthren-9-one
CID 57439818
(7-naphthalen-2-ylsulfonyloxy-9H-fluoren-2-yl) naphthalene-2-sulfonate
CID 21234913
9H-fluoren-3-yl trifluoromethanesulfonate
CID 155935169
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
CID 163817575
biphenylene;sulfamide
CID 67882419
10H-phenanthren-9-one;phosphoryl trichloride
CID 123741293
cobalt;bis(naphthalene-1,2,4-trione)
CID 70554472
[6-(2-methylpentyl)-7-oxo-8H-naphthalen-2-yl] sulfamate
CID 58926833
2-(9,10-dioxoanthracen-2-yl)oxyanthracene-9,10-dione
CID 4522874

Frequently Asked Questions

What is the IUPAC name of (9-oxo-10H-phenanthren-2-yl) sulfamate?
The IUPAC name of (9-oxo-10H-phenanthren-2-yl) sulfamate (CID 20817602) is (9-oxo-10H-phenanthren-2-yl) sulfamate.
What is the SMILES notation for (9-oxo-10H-phenanthren-2-yl) sulfamate?
The canonical SMILES for (9-oxo-10H-phenanthren-2-yl) sulfamate is NS(=O)(=O)Oc1ccc2c(c1)CC(=O)c1ccccc1-2.
What is the InChIKey of (9-oxo-10H-phenanthren-2-yl) sulfamate?
The InChIKey is XXBQSJWAOFNJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4S/c15-20(17,18)19-10-5-6-11-9(7-10)8-14(16)13-4-2-1-3-12(11)13/h1-7H,8H2,(H2,15,17,18).
What are the key properties of (9-oxo-10H-phenanthren-2-yl) sulfamate?
(9-oxo-10H-phenanthren-2-yl) sulfamate has a molecular weight of 289.31 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-oxo-10H-phenanthren-2-yl) sulfamate is sourced from PubChem (CID 20817602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).