[2-chloro-1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide

C22H18ClF2NO5S — CID 18188649

IUPAC[2-chloro-1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1cccc(C2Oc3ccc(Cl)c(OC(F)F)c3-c3ccc(CS(N)(=O)=O)cc32)c1
InChIInChI=1S/C22H18ClF2NO5S/c1-29-14-4-2-3-13(10-14)20-16-9-12(11-32(26,27)28)5-6-15(16)19-18(30-20)8-7-17(23)21(19)31-22(24)25/h2-10,20,22H,11H2,1H3,(H2,26,27,28)
InChIKeyWTZPKEIOMPMISD-UHFFFAOYSA-N
MW481.90 g/mol
LogP4.89
Rot. Bonds6

About [2-chloro-1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide

[2-chloro-1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188649) has the molecular formula C22H18ClF2NO5S and a molecular weight of 481.90 g/mol. Its IUPAC name is [2-chloro-1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[2-chloro-1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188649
Molecular FormulaC22H18ClF2NO5S
Molecular Weight481.90 g/mol
Exact Mass481.06
IUPAC Name[2-chloro-1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1cccc(C2Oc3ccc(Cl)c(OC(F)F)c3-c3ccc(CS(N)(=O)=O)cc32)c1
InChIInChI=1S/C22H18ClF2NO5S/c1-29-14-4-2-3-13(10-14)20-16-9-12(11-32(26,27)28)5-6-15(16)19-18(30-20)8-7-17(23)21(19)31-22(24)25/h2-10,20,22H,11H2,1H3,(H2,26,27,28)
InChIKeyWTZPKEIOMPMISD-UHFFFAOYSA-N
XLogP4.89
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.90
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(3-chlorophenyl)-1-(difluoromethoxy)-2-(2-prop-2-enoxyethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188533
[3-chloro-1-(difluoromethoxy)-6-(3,4-dimethoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188548
[2-fluoro-1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188569
[6-phenyl-1-(trifluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188576
[6-(3-chlorophenyl)-1-(difluoromethoxy)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188608
[1-(difluoromethoxy)-6-(4-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188611
1-[1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]ethanesulfonamide
CID 18188616
2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]benzenesulfonamide
CID 18188620
[3-chloro-6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188632
[6-(3-fluoro-5-prop-2-enoxyphenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188640
[6-[3-(2-but-3-enoxyethyl)phenyl]-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188653
[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188654

Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [2-chloro-1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188649) is [2-chloro-1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [2-chloro-1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [2-chloro-1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is COc1cccc(C2Oc3ccc(Cl)c(OC(F)F)c3-c3ccc(CS(N)(=O)=O)cc32)c1.
What is the InChIKey of [2-chloro-1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is WTZPKEIOMPMISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF2NO5S/c1-29-14-4-2-3-13(10-14)20-16-9-12(11-32(26,27)28)5-6-15(16)19-18(30-20)8-7-17(23)21(19)31-22(24)25/h2-10,20,22H,11H2,1H3,(H2,26,27,28).
What are the key properties of [2-chloro-1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[2-chloro-1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 481.90 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).