N-[7-(methanesulfonamido)-6-phenoxy-4H-chromen-3-yl]formamide

C17H16N2O5S — CID 87256945

IUPACN-[7-(methanesulfonamido)-6-phenoxy-4H-chromen-3-yl]formamide
SMILESCS(=O)(=O)Nc1cc2c(cc1Oc1ccccc1)CC(NC=O)=CO2
InChIInChI=1S/C17H16N2O5S/c1-25(21,22)19-15-9-16-12(7-13(10-23-16)18-11-20)8-17(15)24-14-5-3-2-4-6-14/h2-6,8-11,19H,7H2,1H3,(H,18,20)
InChIKeyYEUVKKYGCLHIKQ-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.37
Rot. Bonds6

About N-[7-(methanesulfonamido)-6-phenoxy-4H-chromen-3-yl]formamide

N-[7-(methanesulfonamido)-6-phenoxy-4H-chromen-3-yl]formamide (PubChem CID 87256945) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[7-(methanesulfonamido)-6-phenoxy-4H-chromen-3-yl]formamide.

Molecular Properties

Compound NameN-[7-(methanesulfonamido)-6-phenoxy-4H-chromen-3-yl]formamide
PubChem CID87256945
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC NameN-[7-(methanesulfonamido)-6-phenoxy-4H-chromen-3-yl]formamide
SMILESCS(=O)(=O)Nc1cc2c(cc1Oc1ccccc1)CC(NC=O)=CO2
InChIInChI=1S/C17H16N2O5S/c1-25(21,22)19-15-9-16-12(7-13(10-23-16)18-11-20)8-17(15)24-14-5-3-2-4-6-14/h2-6,8-11,19H,7H2,1H3,(H,18,20)
InChIKeyYEUVKKYGCLHIKQ-UHFFFAOYSA-N
XLogP2.37
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-(methanesulfonamido)-6-phenoxy-4H-chromen-3-yl]formamide?
The IUPAC name of N-[7-(methanesulfonamido)-6-phenoxy-4H-chromen-3-yl]formamide (CID 87256945) is N-[7-(methanesulfonamido)-6-phenoxy-4H-chromen-3-yl]formamide.
What is the SMILES notation for N-[7-(methanesulfonamido)-6-phenoxy-4H-chromen-3-yl]formamide?
The canonical SMILES for N-[7-(methanesulfonamido)-6-phenoxy-4H-chromen-3-yl]formamide is CS(=O)(=O)Nc1cc2c(cc1Oc1ccccc1)CC(NC=O)=CO2.
What is the InChIKey of N-[7-(methanesulfonamido)-6-phenoxy-4H-chromen-3-yl]formamide?
The InChIKey is YEUVKKYGCLHIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-25(21,22)19-15-9-16-12(7-13(10-23-16)18-11-20)8-17(15)24-14-5-3-2-4-6-14/h2-6,8-11,19H,7H2,1H3,(H,18,20).
What are the key properties of N-[7-(methanesulfonamido)-6-phenoxy-4H-chromen-3-yl]formamide?
N-[7-(methanesulfonamido)-6-phenoxy-4H-chromen-3-yl]formamide has a molecular weight of 360.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(methanesulfonamido)-6-phenoxy-4H-chromen-3-yl]formamide is sourced from PubChem (CID 87256945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).