4-methoxy-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide

C17H16N2O5S — CID 22432139

IUPAC4-methoxy-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide
SMILESCNc1c(NS(=O)(=O)c2ccc(OC)cc2)c(=O)oc2ccccc12
InChIInChI=1S/C17H16N2O5S/c1-18-15-13-5-3-4-6-14(13)24-17(20)16(15)19-25(21,22)12-9-7-11(23-2)8-10-12/h3-10,18-19H,1-2H3
InChIKeyRCOSIBBNKBORRU-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.64
Rot. Bonds5

About 4-methoxy-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide

4-methoxy-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide (PubChem CID 22432139) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is 4-methoxy-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide
PubChem CID22432139
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC Name4-methoxy-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide
SMILESCNc1c(NS(=O)(=O)c2ccc(OC)cc2)c(=O)oc2ccccc12
InChIInChI=1S/C17H16N2O5S/c1-18-15-13-5-3-4-6-14(13)24-17(20)16(15)19-25(21,22)12-9-7-11(23-2)8-10-12/h3-10,18-19H,1-2H3
InChIKeyRCOSIBBNKBORRU-UHFFFAOYSA-N
XLogP2.64
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide (CID 22432139) is 4-methoxy-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide is CNc1c(NS(=O)(=O)c2ccc(OC)cc2)c(=O)oc2ccccc12.
What is the InChIKey of 4-methoxy-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide?
The InChIKey is RCOSIBBNKBORRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-18-15-13-5-3-4-6-14(13)24-17(20)16(15)19-25(21,22)12-9-7-11(23-2)8-10-12/h3-10,18-19H,1-2H3.
What are the key properties of 4-methoxy-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide?
4-methoxy-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide has a molecular weight of 360.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(methylamino)-2-oxochromen-3-yl]benzenesulfonamide is sourced from PubChem (CID 22432139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).