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

C21H19NO4S — CID 10271193

IUPACN-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
SMILESCOc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1ccccc1)O2
InChIInChI=1S/C21H19NO4S/c1-25-18-9-6-10-19-20(18)16-12-11-15(22-27(2,23)24)13-17(16)21(26-19)14-7-4-3-5-8-14/h3-13,21-22H,1-2H3
InChIKeyJBYMAMMMXLMWFU-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.22
Rot. Bonds4

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

N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide (PubChem CID 10271193) has the molecular formula C21H19NO4S and a molecular weight of 381.45 g/mol. Its IUPAC name is N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
PubChem CID10271193
Molecular FormulaC21H19NO4S
Molecular Weight381.45 g/mol
Exact Mass381.10
IUPAC NameN-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
SMILESCOc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1ccccc1)O2
InChIInChI=1S/C21H19NO4S/c1-25-18-9-6-10-19-20(18)16-12-11-15(22-27(2,23)24)13-17(16)21(26-19)14-7-4-3-5-8-14/h3-13,21-22H,1-2H3
InChIKeyJBYMAMMMXLMWFU-UHFFFAOYSA-N
XLogP4.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The IUPAC name of N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide (CID 10271193) is N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide.
What is the SMILES notation for N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The canonical SMILES for N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide is COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1ccccc1)O2.
What is the InChIKey of N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The InChIKey is JBYMAMMMXLMWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4S/c1-25-18-9-6-10-19-20(18)16-12-11-15(22-27(2,23)24)13-17(16)21(26-19)14-7-4-3-5-8-14/h3-13,21-22H,1-2H3.
What are the key properties of N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide has a molecular weight of 381.45 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide is sourced from PubChem (CID 10271193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).