2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]benzenesulfonamide

C26H18ClF2NO4S — CID 18188620

IUPAC2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2c(c1)C(c1cccc(Cl)c1)Oc1cccc(OC(F)F)c1-2
InChIInChI=1S/C26H18ClF2NO4S/c27-17-6-3-5-16(13-17)25-20-14-15(18-7-1-2-10-23(18)35(30,31)32)11-12-19(20)24-21(33-25)8-4-9-22(24)34-26(28)29/h1-14,25-26H,(H2,30,31,32)
InChIKeySMYDMSBFKGUBMK-UHFFFAOYSA-N
MW513.95 g/mol
LogP6.40
Rot. Bonds5

About 2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]benzenesulfonamide

2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]benzenesulfonamide (PubChem CID 18188620) has the molecular formula C26H18ClF2NO4S and a molecular weight of 513.95 g/mol. Its IUPAC name is 2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]benzenesulfonamide
PubChem CID18188620
Molecular FormulaC26H18ClF2NO4S
Molecular Weight513.95 g/mol
Exact Mass513.06
IUPAC Name2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2c(c1)C(c1cccc(Cl)c1)Oc1cccc(OC(F)F)c1-2
InChIInChI=1S/C26H18ClF2NO4S/c27-17-6-3-5-16(13-17)25-20-14-15(18-7-1-2-10-23(18)35(30,31)32)11-12-19(20)24-21(33-25)8-4-9-22(24)34-26(28)29/h1-14,25-26H,(H2,30,31,32)
InChIKeySMYDMSBFKGUBMK-UHFFFAOYSA-N
XLogP6.40
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.95
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]benzenesulfonamide
CID 18188551
[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
[3-chloro-6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188632
[2-chloro-1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188649
[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
[2-chloro-1-(difluoromethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188656
[3-chloro-1-(difluoromethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188660
[6-(4-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188663
[6-(3-chlorophenyl)-2-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188687

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]benzenesulfonamide?
The IUPAC name of 2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]benzenesulfonamide (CID 18188620) is 2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]benzenesulfonamide.
What is the SMILES notation for 2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]benzenesulfonamide?
The canonical SMILES for 2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1ccc2c(c1)C(c1cccc(Cl)c1)Oc1cccc(OC(F)F)c1-2.
What is the InChIKey of 2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]benzenesulfonamide?
The InChIKey is SMYDMSBFKGUBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClF2NO4S/c27-17-6-3-5-16(13-17)25-20-14-15(18-7-1-2-10-23(18)35(30,31)32)11-12-19(20)24-21(33-25)8-4-9-22(24)34-26(28)29/h1-14,25-26H,(H2,30,31,32).
What are the key properties of 2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]benzenesulfonamide?
2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]benzenesulfonamide has a molecular weight of 513.95 g/mol, XLogP of 6.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]benzenesulfonamide is sourced from PubChem (CID 18188620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).