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

C21H18BrNO4S — CID 18189053

IUPAC(2-bromo-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
SMILESCOc1c(Br)ccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1ccccc1)O2
InChIInChI=1S/C21H18BrNO4S/c1-26-21-17(22)9-10-18-19(21)15-8-7-13(12-28(23,24)25)11-16(15)20(27-18)14-5-3-2-4-6-14/h2-11,20H,12H2,1H3,(H2,23,24,25)
InChIKeyNEPCVVRHUYCIBR-UHFFFAOYSA-N
MW460.35 g/mol
LogP4.39
Rot. Bonds4

About (2-bromo-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide

(2-bromo-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide (PubChem CID 18189053) has the molecular formula C21H18BrNO4S and a molecular weight of 460.35 g/mol. Its IUPAC name is (2-bromo-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide.

Molecular Properties

Compound Name(2-bromo-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
PubChem CID18189053
Molecular FormulaC21H18BrNO4S
Molecular Weight460.35 g/mol
Exact Mass459.01
IUPAC Name(2-bromo-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
SMILESCOc1c(Br)ccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1ccccc1)O2
InChIInChI=1S/C21H18BrNO4S/c1-26-21-17(22)9-10-18-19(21)15-8-7-13(12-28(23,24)25)11-16(15)20(27-18)14-5-3-2-4-6-14/h2-11,20H,12H2,1H3,(H2,23,24,25)
InChIKeyNEPCVVRHUYCIBR-UHFFFAOYSA-N
XLogP4.39
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.35
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-fluoro-6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188674
[2-chloro-6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18504025
[6-(3,4-dimethoxyphenyl)-2-hydroxy-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188985
(1-acetyl-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
CID 18504127
[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189177
[1-methoxy-6-(3-methoxyphenyl)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18504052
[6-(3-methoxyphenyl)-1-methylsulfonyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188845
3-[1-methoxy-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]benzoic acid
CID 18189442
[1-ethyl-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188547
(6-phenyl-1-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
CID 18188763
[1-methoxy-6-(3-methoxyphenyl)-2-(2-prop-2-enoxyethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188771
2,4-dimethoxy-1-methylbenzene;(1-methoxy-4-methyl-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
CID 70167608

Frequently Asked Questions

What is the IUPAC name of (2-bromo-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The IUPAC name of (2-bromo-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide (CID 18189053) is (2-bromo-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide.
What is the SMILES notation for (2-bromo-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The canonical SMILES for (2-bromo-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide is COc1c(Br)ccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1ccccc1)O2.
What is the InChIKey of (2-bromo-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The InChIKey is NEPCVVRHUYCIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO4S/c1-26-21-17(22)9-10-18-19(21)15-8-7-13(12-28(23,24)25)11-16(15)20(27-18)14-5-3-2-4-6-14/h2-11,20H,12H2,1H3,(H2,23,24,25).
What are the key properties of (2-bromo-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide?
(2-bromo-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide has a molecular weight of 460.35 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)methanesulfonamide is sourced from PubChem (CID 18189053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).