N-[6-(3-hydroxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

C21H19NO5S — CID 10272127

IUPACN-[6-(3-hydroxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1cccc(O)c1)O2
InChIInChI=1S/C21H19NO5S/c1-26-18-7-4-8-19-20(18)16-10-9-14(22-28(2,24)25)12-17(16)21(27-19)13-5-3-6-15(23)11-13/h3-12,21-23H,1-2H3
InChIKeyIWVQWKVSZZNDKW-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.92
Rot. Bonds4

About N-[6-(3-hydroxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

N-[6-(3-hydroxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 10272127) has the molecular formula C21H19NO5S and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[6-(3-hydroxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(3-hydroxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID10272127
Molecular FormulaC21H19NO5S
Molecular Weight397.45 g/mol
Exact Mass397.10
IUPAC NameN-[6-(3-hydroxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1cccc(O)c1)O2
InChIInChI=1S/C21H19NO5S/c1-26-18-7-4-8-19-20(18)16-10-9-14(22-28(2,24)25)12-17(16)21(27-19)13-5-3-6-15(23)11-13/h3-12,21-23H,1-2H3
InChIKeyIWVQWKVSZZNDKW-UHFFFAOYSA-N
XLogP3.92
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-hydroxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of N-[6-(3-hydroxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 10272127) is N-[6-(3-hydroxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(3-hydroxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for N-[6-(3-hydroxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1cccc(O)c1)O2.
What is the InChIKey of N-[6-(3-hydroxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is IWVQWKVSZZNDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5S/c1-26-18-7-4-8-19-20(18)16-10-9-14(22-28(2,24)25)12-17(16)21(27-19)13-5-3-6-15(23)11-13/h3-12,21-23H,1-2H3.
What are the key properties of N-[6-(3-hydroxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
N-[6-(3-hydroxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 397.45 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-hydroxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 10272127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).