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

C26H17ClF3NO4S — CID 18189114

IUPACN-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)C(c1cccc(Cl)c1)Oc1cccc(OC(F)F)c1-2)c1ccccc1F
InChIInChI=1S/C26H17ClF3NO4S/c27-16-6-3-5-15(13-16)25-19-14-17(31-36(32,33)23-10-2-1-7-20(23)28)11-12-18(19)24-21(34-25)8-4-9-22(24)35-26(29)30/h1-14,25-26,31H
InChIKeyNRRAZBJFPJPDNK-UHFFFAOYSA-N
MW531.94 g/mol
LogP7.03
Rot. Bonds6

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

N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-fluorobenzenesulfonamide (PubChem CID 18189114) has the molecular formula C26H17ClF3NO4S and a molecular weight of 531.94 g/mol. Its IUPAC name is N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-fluorobenzenesulfonamide
PubChem CID18189114
Molecular FormulaC26H17ClF3NO4S
Molecular Weight531.94 g/mol
Exact Mass531.05
IUPAC NameN-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)C(c1cccc(Cl)c1)Oc1cccc(OC(F)F)c1-2)c1ccccc1F
InChIInChI=1S/C26H17ClF3NO4S/c27-16-6-3-5-15(13-16)25-19-14-17(31-36(32,33)23-10-2-1-7-20(23)28)11-12-18(19)24-21(34-25)8-4-9-22(24)35-26(29)30/h1-14,25-26,31H
InChIKeyNRRAZBJFPJPDNK-UHFFFAOYSA-N
XLogP7.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.94
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-methylpropanamide
CID 70026589
1-(difluoromethoxy)-6-(3-fluorophenyl)-N-phenyl-6H-benzo[c]chromen-8-amine
CID 70025995
3-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]-1,1-bis(methylsulfonyl)urea
CID 70027760
N-(1-methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)benzenesulfonamide
CID 10297219
N-[6-(3-chlorophenyl)-1-[ethyl(methyl)amino]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10275194
[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188680
[6-(3-chlorophenyl)-1-(difluoromethoxy)-2-fluoro-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189452
N-[1-(difluoromethoxy)-6-[4-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10140990
3-[1-(difluoromethoxy)-6-(3,4-dimethoxyphenyl)-6H-benzo[c]chromen-8-yl]-1,1-bis(methylsulfonyl)urea
CID 18189426
2-[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]ethanesulfonamide
CID 70028336
2-[1-(difluoromethoxy)-8-(methanesulfonamido)-6H-benzo[c]chromen-6-yl]-3-ethylbenzoic acid
CID 70168421
1-(difluoromethoxy)-N-ethyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine
CID 70026566

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-fluorobenzenesulfonamide (CID 18189114) is N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)C(c1cccc(Cl)c1)Oc1cccc(OC(F)F)c1-2)c1ccccc1F.
What is the InChIKey of N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-fluorobenzenesulfonamide?
The InChIKey is NRRAZBJFPJPDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClF3NO4S/c27-16-6-3-5-15(13-16)25-19-14-17(31-36(32,33)23-10-2-1-7-20(23)28)11-12-18(19)24-21(34-25)8-4-9-22(24)35-26(29)30/h1-14,25-26,31H.
What are the key properties of N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-fluorobenzenesulfonamide?
N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-fluorobenzenesulfonamide has a molecular weight of 531.94 g/mol, XLogP of 7.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 18189114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).