2-chloro-5-(4-methylphenyl)sulfonyl-6H-phenanthridine

C20H16ClNO2S — CID 56927367

IUPAC2-chloro-5-(4-methylphenyl)sulfonyl-6H-phenanthridine
SMILESCc1ccc(S(=O)(=O)N2Cc3ccccc3-c3cc(Cl)ccc32)cc1
InChIInChI=1S/C20H16ClNO2S/c1-14-6-9-17(10-7-14)25(23,24)22-13-15-4-2-3-5-18(15)19-12-16(21)8-11-20(19)22/h2-12H,13H2,1H3
InChIKeyXZJUDPCPMUXWMZ-UHFFFAOYSA-N
MW369.87 g/mol
LogP5.02
Rot. Bonds2

About 2-chloro-5-(4-methylphenyl)sulfonyl-6H-phenanthridine

2-chloro-5-(4-methylphenyl)sulfonyl-6H-phenanthridine (PubChem CID 56927367) has the molecular formula C20H16ClNO2S and a molecular weight of 369.87 g/mol. Its IUPAC name is 2-chloro-5-(4-methylphenyl)sulfonyl-6H-phenanthridine.

Molecular Properties

Compound Name2-chloro-5-(4-methylphenyl)sulfonyl-6H-phenanthridine
PubChem CID56927367
Molecular FormulaC20H16ClNO2S
Molecular Weight369.87 g/mol
Exact Mass369.06
IUPAC Name2-chloro-5-(4-methylphenyl)sulfonyl-6H-phenanthridine
SMILESCc1ccc(S(=O)(=O)N2Cc3ccccc3-c3cc(Cl)ccc32)cc1
InChIInChI=1S/C20H16ClNO2S/c1-14-6-9-17(10-7-14)25(23,24)22-13-15-4-2-3-5-18(15)19-12-16(21)8-11-20(19)22/h2-12H,13H2,1H3
InChIKeyXZJUDPCPMUXWMZ-UHFFFAOYSA-N
XLogP5.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.87
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 172633432
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2-(4-methylphenyl)sulfonyl-3,4-dihydroisoquinolin-1-one
CID 11472135
1-(4-methylphenyl)sulfonyl-3-phenyl-2H-quinoline
CID 175302706
5-chloro-3-ethenyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 11013053
6-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-5,7-dihydrobenzo[d][2]benzazepine
CID 122218585
4-chloro-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 20962746
4-[(8-fluoro-6H-phenanthridin-5-yl)sulfonyl]phenol
CID 143169621
(4Z)-4-(hydroxymethylidene)-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-5-one
CID 44723400
3-methylidene-4-(4-methylphenyl)sulfonyl-5H-1,4-benzoxazepine
CID 25136623
(3Z)-1,6-bis-(4-methylphenyl)sulfonyl-5,7-dihydro-2H-1,6-benzodiazonine
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CID 177389988
CID 177389988

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-methylphenyl)sulfonyl-6H-phenanthridine?
The IUPAC name of 2-chloro-5-(4-methylphenyl)sulfonyl-6H-phenanthridine (CID 56927367) is 2-chloro-5-(4-methylphenyl)sulfonyl-6H-phenanthridine.
What is the SMILES notation for 2-chloro-5-(4-methylphenyl)sulfonyl-6H-phenanthridine?
The canonical SMILES for 2-chloro-5-(4-methylphenyl)sulfonyl-6H-phenanthridine is Cc1ccc(S(=O)(=O)N2Cc3ccccc3-c3cc(Cl)ccc32)cc1.
What is the InChIKey of 2-chloro-5-(4-methylphenyl)sulfonyl-6H-phenanthridine?
The InChIKey is XZJUDPCPMUXWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO2S/c1-14-6-9-17(10-7-14)25(23,24)22-13-15-4-2-3-5-18(15)19-12-16(21)8-11-20(19)22/h2-12H,13H2,1H3.
What are the key properties of 2-chloro-5-(4-methylphenyl)sulfonyl-6H-phenanthridine?
2-chloro-5-(4-methylphenyl)sulfonyl-6H-phenanthridine has a molecular weight of 369.87 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-methylphenyl)sulfonyl-6H-phenanthridine is sourced from PubChem (CID 56927367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).