N-[1-(hydroxymethyl)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide

C21H19NO4S — CID 10177869

IUPACN-[1-(hydroxymethyl)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)C(c1ccccc1)Oc1cccc(CO)c1-2
InChIInChI=1S/C21H19NO4S/c1-27(24,25)22-16-10-11-17-18(12-16)21(14-6-3-2-4-7-14)26-19-9-5-8-15(13-23)20(17)19/h2-12,21-23H,13H2,1H3
InChIKeyMSOUZOJIURTKJU-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.70
Rot. Bonds4

About N-[1-(hydroxymethyl)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide

N-[1-(hydroxymethyl)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 10177869) has the molecular formula C21H19NO4S and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID10177869
Molecular FormulaC21H19NO4S
Molecular Weight381.45 g/mol
Exact Mass381.10
IUPAC NameN-[1-(hydroxymethyl)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)C(c1ccccc1)Oc1cccc(CO)c1-2
InChIInChI=1S/C21H19NO4S/c1-27(24,25)22-16-10-11-17-18(12-16)21(14-6-3-2-4-7-14)26-19-9-5-8-15(13-23)20(17)19/h2-12,21-23H,13H2,1H3
InChIKeyMSOUZOJIURTKJU-UHFFFAOYSA-N
XLogP3.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of N-[1-(hydroxymethyl)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 10177869) is N-[1-(hydroxymethyl)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for N-[1-(hydroxymethyl)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc2c(c1)C(c1ccccc1)Oc1cccc(CO)c1-2.
What is the InChIKey of N-[1-(hydroxymethyl)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is MSOUZOJIURTKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4S/c1-27(24,25)22-16-10-11-17-18(12-16)21(14-6-3-2-4-7-14)26-19-9-5-8-15(13-23)20(17)19/h2-12,21-23H,13H2,1H3.
What are the key properties of N-[1-(hydroxymethyl)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
N-[1-(hydroxymethyl)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 381.45 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-6-phenyl-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 10177869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).