[6-(3-chlorophenyl)-1-ethyl-6H-benzo[c]chromen-8-yl]methanesulfonamide

C22H20ClNO3S — CID 18188718

IUPAC[6-(3-chlorophenyl)-1-ethyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCCc1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(Cl)c1)O2
InChIInChI=1S/C22H20ClNO3S/c1-2-15-5-4-8-20-21(15)18-10-9-14(13-28(24,25)26)11-19(18)22(27-20)16-6-3-7-17(23)12-16/h3-12,22H,2,13H2,1H3,(H2,24,25,26)
InChIKeyZATOPEGFUNLDOP-UHFFFAOYSA-N
MW413.93 g/mol
LogP4.84
Rot. Bonds4

About [6-(3-chlorophenyl)-1-ethyl-6H-benzo[c]chromen-8-yl]methanesulfonamide

[6-(3-chlorophenyl)-1-ethyl-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188718) has the molecular formula C22H20ClNO3S and a molecular weight of 413.93 g/mol. Its IUPAC name is [6-(3-chlorophenyl)-1-ethyl-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[6-(3-chlorophenyl)-1-ethyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188718
Molecular FormulaC22H20ClNO3S
Molecular Weight413.93 g/mol
Exact Mass413.09
IUPAC Name[6-(3-chlorophenyl)-1-ethyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCCc1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(Cl)c1)O2
InChIInChI=1S/C22H20ClNO3S/c1-2-15-5-4-8-20-21(15)18-10-9-14(13-28(24,25)26)11-19(18)22(27-20)16-6-3-7-17(23)12-16/h3-12,22H,2,13H2,1H3,(H2,24,25,26)
InChIKeyZATOPEGFUNLDOP-UHFFFAOYSA-N
XLogP4.84
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(3-chlorophenyl)-1-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189291
[6-(3-chlorophenyl)-1-(difluoromethoxy)-2-fluoro-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189452
[6-(3,4-dimethoxyphenyl)-1-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189093
[1-ethylsulfinyl-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188731
[2-chloro-6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18504025
3-[1-methoxy-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]benzoic acid
CID 18189442
[2-fluoro-6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188674
[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189177
ethyl 3-[3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]phenyl]-2,2-dimethylpropanoate
CID 18188760
N-[6-(3-chlorophenyl)-1-[ethyl(methyl)amino]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10275194
[1-methoxy-6-(3-methoxyphenyl)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18504052
[1-(difluoromethoxy)-6-pyridin-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18504013

Frequently Asked Questions

What is the IUPAC name of [6-(3-chlorophenyl)-1-ethyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [6-(3-chlorophenyl)-1-ethyl-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188718) is [6-(3-chlorophenyl)-1-ethyl-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [6-(3-chlorophenyl)-1-ethyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [6-(3-chlorophenyl)-1-ethyl-6H-benzo[c]chromen-8-yl]methanesulfonamide is CCc1cccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(Cl)c1)O2.
What is the InChIKey of [6-(3-chlorophenyl)-1-ethyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is ZATOPEGFUNLDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO3S/c1-2-15-5-4-8-20-21(15)18-10-9-14(13-28(24,25)26)11-19(18)22(27-20)16-6-3-7-17(23)12-16/h3-12,22H,2,13H2,1H3,(H2,24,25,26).
What are the key properties of [6-(3-chlorophenyl)-1-ethyl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[6-(3-chlorophenyl)-1-ethyl-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 413.93 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chlorophenyl)-1-ethyl-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).