3,9-difluoro-5-(4-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine

C21H17F2NO3S — CID 22482344

IUPAC3,9-difluoro-5-(4-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine
SMILESCOc1ccc(S(=O)(=O)N2c3cc(F)ccc3-c3cc(F)ccc3C2C)cc1
InChIInChI=1S/C21H17F2NO3S/c1-13-18-9-3-14(22)11-20(18)19-10-4-15(23)12-21(19)24(13)28(25,26)17-7-5-16(27-2)6-8-17/h3-13H,1-2H3
InChIKeyOQWFHXIAPVZBMI-UHFFFAOYSA-N
MW401.43 g/mol
LogP4.91
Rot. Bonds3

About 3,9-difluoro-5-(4-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine

3,9-difluoro-5-(4-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine (PubChem CID 22482344) has the molecular formula C21H17F2NO3S and a molecular weight of 401.43 g/mol. Its IUPAC name is 3,9-difluoro-5-(4-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine.

Molecular Properties

Compound Name3,9-difluoro-5-(4-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine
PubChem CID22482344
Molecular FormulaC21H17F2NO3S
Molecular Weight401.43 g/mol
Exact Mass401.09
IUPAC Name3,9-difluoro-5-(4-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine
SMILESCOc1ccc(S(=O)(=O)N2c3cc(F)ccc3-c3cc(F)ccc3C2C)cc1
InChIInChI=1S/C21H17F2NO3S/c1-13-18-9-3-14(22)11-20(18)19-10-4-15(23)12-21(19)24(13)28(25,26)17-7-5-16(27-2)6-8-17/h3-13H,1-2H3
InChIKeyOQWFHXIAPVZBMI-UHFFFAOYSA-N
XLogP4.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-5-(3-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine
CID 22482265
3-[[(6S)-3,8-difluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol
CID 69354868
5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3575663
1-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-3-(4-methoxyphenyl)thiourea
CID 17262758
7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 44723602
1-ethyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-6H-phenanthridine
CID 141090114
(6R)-5-(4-methoxyphenyl)sulfonyl-6-phenyl-6H-phenanthridine
CID 69354601
(4R)-8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 141299926
(5R)-5-fluoro-2-iodo-4-(4-methoxyphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline
CID 134605558
5-bromo-1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 133239527
(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 1294264
1-[5-(2,4-difluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 66924833

Frequently Asked Questions

What is the IUPAC name of 3,9-difluoro-5-(4-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine?
The IUPAC name of 3,9-difluoro-5-(4-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine (CID 22482344) is 3,9-difluoro-5-(4-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine.
What is the SMILES notation for 3,9-difluoro-5-(4-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine?
The canonical SMILES for 3,9-difluoro-5-(4-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine is COc1ccc(S(=O)(=O)N2c3cc(F)ccc3-c3cc(F)ccc3C2C)cc1.
What is the InChIKey of 3,9-difluoro-5-(4-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine?
The InChIKey is OQWFHXIAPVZBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO3S/c1-13-18-9-3-14(22)11-20(18)19-10-4-15(23)12-21(19)24(13)28(25,26)17-7-5-16(27-2)6-8-17/h3-13H,1-2H3.
What are the key properties of 3,9-difluoro-5-(4-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine?
3,9-difluoro-5-(4-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine has a molecular weight of 401.43 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-difluoro-5-(4-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine is sourced from PubChem (CID 22482344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).