[(2R)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl] sulfamate

C15H13NO5S — CID 59032849

IUPAC[(2R)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl] sulfamate
SMILESNS(=O)(=O)Oc1ccc2c(c1)O[C@@H](c1ccccc1)CC2=O
InChIInChI=1S/C15H13NO5S/c16-22(18,19)21-11-6-7-12-13(17)9-14(20-15(12)8-11)10-4-2-1-3-5-10/h1-8,14H,9H2,(H2,16,18,19)/t14-/m1/s1
InChIKeySGAUJQZRQVOWQP-CQSZACIVSA-N
MW319.34 g/mol
LogP1.98
Rot. Bonds3

About [(2R)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl] sulfamate

[(2R)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl] sulfamate (PubChem CID 59032849) has the molecular formula C15H13NO5S and a molecular weight of 319.34 g/mol. Its IUPAC name is [(2R)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl] sulfamate.

Molecular Properties

Compound Name[(2R)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl] sulfamate
PubChem CID59032849
Molecular FormulaC15H13NO5S
Molecular Weight319.34 g/mol
Exact Mass319.05
IUPAC Name[(2R)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl] sulfamate
SMILESNS(=O)(=O)Oc1ccc2c(c1)O[C@@H](c1ccccc1)CC2=O
InChIInChI=1S/C15H13NO5S/c16-22(18,19)21-11-6-7-12-13(17)9-14(20-15(12)8-11)10-4-2-1-3-5-10/h1-8,14H,9H2,(H2,16,18,19)/t14-/m1/s1
InChIKeySGAUJQZRQVOWQP-CQSZACIVSA-N
XLogP1.98
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(5-amino-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one
CID 69016863
2,2-difluoro-2-[(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)oxy]acetic acid
CID 159150938
6-aminooxy-2-phenyl-2,3-dihydrochromen-4-one
CID 163678312
7-(dimethylamino)-2-phenyl-2,3-dihydrochromen-4-one
CID 13393781
4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid
CID 93179406
ethane;2-phenyl-2,3-dihydrochromen-4-one
CID 91018475
2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672605
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one
CID 68519073
2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672505
(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 16655803
2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 73299305
7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 5271543

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl] sulfamate?
The IUPAC name of [(2R)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl] sulfamate (CID 59032849) is [(2R)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl] sulfamate.
What is the SMILES notation for [(2R)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl] sulfamate?
The canonical SMILES for [(2R)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl] sulfamate is NS(=O)(=O)Oc1ccc2c(c1)O[C@@H](c1ccccc1)CC2=O.
What is the InChIKey of [(2R)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl] sulfamate?
The InChIKey is SGAUJQZRQVOWQP-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13NO5S/c16-22(18,19)21-11-6-7-12-13(17)9-14(20-15(12)8-11)10-4-2-1-3-5-10/h1-8,14H,9H2,(H2,16,18,19)/t14-/m1/s1.
What are the key properties of [(2R)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl] sulfamate?
[(2R)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl] sulfamate has a molecular weight of 319.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl] sulfamate is sourced from PubChem (CID 59032849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).