4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol

C20H15F2NO3S — CID 22482258

IUPAC4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol
SMILESCC1c2ccc(F)cc2-c2cc(F)ccc2N1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C20H15F2NO3S/c1-12-17-8-2-13(21)10-18(17)19-11-14(22)3-9-20(19)23(12)27(25,26)16-6-4-15(24)5-7-16/h2-12,24H,1H3
InChIKeyWNNPOSMDHAKTRQ-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.61
Rot. Bonds2

About 4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol

4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol (PubChem CID 22482258) has the molecular formula C20H15F2NO3S and a molecular weight of 387.41 g/mol. Its IUPAC name is 4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol.

Molecular Properties

Compound Name4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol
PubChem CID22482258
Molecular FormulaC20H15F2NO3S
Molecular Weight387.41 g/mol
Exact Mass387.07
IUPAC Name4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol
SMILESCC1c2ccc(F)cc2-c2cc(F)ccc2N1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C20H15F2NO3S/c1-12-17-8-2-13(21)10-18(17)19-11-14(22)3-9-20(19)23(12)27(25,26)16-6-4-15(24)5-7-16/h2-12,24H,1H3
InChIKeyWNNPOSMDHAKTRQ-UHFFFAOYSA-N
XLogP4.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol?
The IUPAC name of 4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol (CID 22482258) is 4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol.
What is the SMILES notation for 4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol?
The canonical SMILES for 4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol is CC1c2ccc(F)cc2-c2cc(F)ccc2N1S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol?
The InChIKey is WNNPOSMDHAKTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO3S/c1-12-17-8-2-13(21)10-18(17)19-11-14(22)3-9-20(19)23(12)27(25,26)16-6-4-15(24)5-7-16/h2-12,24H,1H3.
What are the key properties of 4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol?
4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol has a molecular weight of 387.41 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol is sourced from PubChem (CID 22482258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).