N-(4-oxo-6-phenoxychromen-7-yl)methanesulfonamide

C16H13NO5S — CID 10616480

IUPACN-(4-oxo-6-phenoxychromen-7-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2occc(=O)c2cc1Oc1ccccc1
InChIInChI=1S/C16H13NO5S/c1-23(19,20)17-13-10-15-12(14(18)7-8-21-15)9-16(13)22-11-5-3-2-4-6-11/h2-10,17H,1H3
InChIKeyKJJUXOQDQJGDTI-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.96
Rot. Bonds4

About N-(4-oxo-6-phenoxychromen-7-yl)methanesulfonamide

N-(4-oxo-6-phenoxychromen-7-yl)methanesulfonamide (PubChem CID 10616480) has the molecular formula C16H13NO5S and a molecular weight of 331.35 g/mol. Its IUPAC name is N-(4-oxo-6-phenoxychromen-7-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-oxo-6-phenoxychromen-7-yl)methanesulfonamide
PubChem CID10616480
Molecular FormulaC16H13NO5S
Molecular Weight331.35 g/mol
Exact Mass331.05
IUPAC NameN-(4-oxo-6-phenoxychromen-7-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2occc(=O)c2cc1Oc1ccccc1
InChIInChI=1S/C16H13NO5S/c1-23(19,20)17-13-10-15-12(14(18)7-8-21-15)9-16(13)22-11-5-3-2-4-6-11/h2-10,17H,1H3
InChIKeyKJJUXOQDQJGDTI-UHFFFAOYSA-N
XLogP2.96
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-6-phenoxychromen-7-yl)methanesulfonamide?
The IUPAC name of N-(4-oxo-6-phenoxychromen-7-yl)methanesulfonamide (CID 10616480) is N-(4-oxo-6-phenoxychromen-7-yl)methanesulfonamide.
What is the SMILES notation for N-(4-oxo-6-phenoxychromen-7-yl)methanesulfonamide?
The canonical SMILES for N-(4-oxo-6-phenoxychromen-7-yl)methanesulfonamide is CS(=O)(=O)Nc1cc2occc(=O)c2cc1Oc1ccccc1.
What is the InChIKey of N-(4-oxo-6-phenoxychromen-7-yl)methanesulfonamide?
The InChIKey is KJJUXOQDQJGDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5S/c1-23(19,20)17-13-10-15-12(14(18)7-8-21-15)9-16(13)22-11-5-3-2-4-6-11/h2-10,17H,1H3.
What are the key properties of N-(4-oxo-6-phenoxychromen-7-yl)methanesulfonamide?
N-(4-oxo-6-phenoxychromen-7-yl)methanesulfonamide has a molecular weight of 331.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-6-phenoxychromen-7-yl)methanesulfonamide is sourced from PubChem (CID 10616480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).