(6R)-5-(4-methoxyphenyl)sulfonyl-6-phenyl-6H-phenanthridine

C26H21NO3S — CID 69354601

IUPAC(6R)-5-(4-methoxyphenyl)sulfonyl-6-phenyl-6H-phenanthridine
SMILESCOc1ccc(S(=O)(=O)N2c3ccccc3-c3ccccc3[C@H]2c2ccccc2)cc1
InChIInChI=1S/C26H21NO3S/c1-30-20-15-17-21(18-16-20)31(28,29)27-25-14-8-7-12-23(25)22-11-5-6-13-24(22)26(27)19-9-3-2-4-10-19/h2-18,26H,1H3/t26-/m1/s1
InChIKeyWOJXRYCMNSBBRF-AREMUKBSSA-N
MW427.53 g/mol
LogP5.66
Rot. Bonds4

About (6R)-5-(4-methoxyphenyl)sulfonyl-6-phenyl-6H-phenanthridine

(6R)-5-(4-methoxyphenyl)sulfonyl-6-phenyl-6H-phenanthridine (PubChem CID 69354601) has the molecular formula C26H21NO3S and a molecular weight of 427.53 g/mol. Its IUPAC name is (6R)-5-(4-methoxyphenyl)sulfonyl-6-phenyl-6H-phenanthridine.

Molecular Properties

Compound Name(6R)-5-(4-methoxyphenyl)sulfonyl-6-phenyl-6H-phenanthridine
PubChem CID69354601
Molecular FormulaC26H21NO3S
Molecular Weight427.53 g/mol
Exact Mass427.12
IUPAC Name(6R)-5-(4-methoxyphenyl)sulfonyl-6-phenyl-6H-phenanthridine
SMILESCOc1ccc(S(=O)(=O)N2c3ccccc3-c3ccccc3[C@H]2c2ccccc2)cc1
InChIInChI=1S/C26H21NO3S/c1-30-20-15-17-21(18-16-20)31(28,29)27-25-14-8-7-12-23(25)22-11-5-6-13-24(22)26(27)19-9-3-2-4-10-19/h2-18,26H,1H3/t26-/m1/s1
InChIKeyWOJXRYCMNSBBRF-AREMUKBSSA-N
XLogP5.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.53
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-6-[(2R)-butan-2-yl]-5-(4-methoxyphenyl)sulfonyl-6H-phenanthridine
CID 20782184
5-methoxy-2-(4-methylphenyl)sulfonyl-3-phenyl-3H-isoindol-1-one
CID 76517658
2-(4-methylphenyl)sulfonyl-3-phenyl-3H-isoindol-1-one
CID 132940992
2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-3-sulfanyl-2,3-dihydroquinolin-4-one
CID 175074316
9-(4-methoxyphenyl)sulfonyl-9H-fluorene
CID 11450528
(5R)-5-fluoro-2-iodo-4-(4-methoxyphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline
CID 134605558
5-ethyl-4-(4-methoxyphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline
CID 68579644
3-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 132581058
(2S,3S)-1-(benzenesulfonyl)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydroindol-5-ol
CID 10670062
methyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate
CID 67435881
(2S,3S)-3-ethenyl-6-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydroindole
CID 164667656
8-fluoro-5-(3-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine
CID 22482265

Frequently Asked Questions

What is the IUPAC name of (6R)-5-(4-methoxyphenyl)sulfonyl-6-phenyl-6H-phenanthridine?
The IUPAC name of (6R)-5-(4-methoxyphenyl)sulfonyl-6-phenyl-6H-phenanthridine (CID 69354601) is (6R)-5-(4-methoxyphenyl)sulfonyl-6-phenyl-6H-phenanthridine.
What is the SMILES notation for (6R)-5-(4-methoxyphenyl)sulfonyl-6-phenyl-6H-phenanthridine?
The canonical SMILES for (6R)-5-(4-methoxyphenyl)sulfonyl-6-phenyl-6H-phenanthridine is COc1ccc(S(=O)(=O)N2c3ccccc3-c3ccccc3[C@H]2c2ccccc2)cc1.
What is the InChIKey of (6R)-5-(4-methoxyphenyl)sulfonyl-6-phenyl-6H-phenanthridine?
The InChIKey is WOJXRYCMNSBBRF-AREMUKBSSA-N. The full InChI is InChI=1S/C26H21NO3S/c1-30-20-15-17-21(18-16-20)31(28,29)27-25-14-8-7-12-23(25)22-11-5-6-13-24(22)26(27)19-9-3-2-4-10-19/h2-18,26H,1H3/t26-/m1/s1.
What are the key properties of (6R)-5-(4-methoxyphenyl)sulfonyl-6-phenyl-6H-phenanthridine?
(6R)-5-(4-methoxyphenyl)sulfonyl-6-phenyl-6H-phenanthridine has a molecular weight of 427.53 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5-(4-methoxyphenyl)sulfonyl-6-phenyl-6H-phenanthridine is sourced from PubChem (CID 69354601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).