10-[3-[6-(benzenesulfonyl)-4-methyl-2-pyridinyl]phenyl]phenoxazine

C30H22N2O3S — CID 134237355

IUPAC10-[3-[6-(benzenesulfonyl)-4-methyl-2-pyridinyl]phenyl]phenoxazine
SMILESCc1cc(-c2cccc(N3c4ccccc4Oc4ccccc43)c2)nc(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C30H22N2O3S/c1-21-18-25(31-30(19-21)36(33,34)24-12-3-2-4-13-24)22-10-9-11-23(20-22)32-26-14-5-7-16-28(26)35-29-17-8-6-15-27(29)32/h2-20H,1H3
InChIKeyKHTAFVYRFCYDDS-UHFFFAOYSA-N
MW490.58 g/mol
LogP7.47
Rot. Bonds4

About 10-[3-[6-(benzenesulfonyl)-4-methyl-2-pyridinyl]phenyl]phenoxazine

10-[3-[6-(benzenesulfonyl)-4-methyl-2-pyridinyl]phenyl]phenoxazine (PubChem CID 134237355) has the molecular formula C30H22N2O3S and a molecular weight of 490.58 g/mol. Its IUPAC name is 10-[3-[6-(benzenesulfonyl)-4-methyl-2-pyridinyl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-[6-(benzenesulfonyl)-4-methyl-2-pyridinyl]phenyl]phenoxazine
PubChem CID134237355
Molecular FormulaC30H22N2O3S
Molecular Weight490.58 g/mol
Exact Mass490.14
IUPAC Name10-[3-[6-(benzenesulfonyl)-4-methyl-2-pyridinyl]phenyl]phenoxazine
SMILESCc1cc(-c2cccc(N3c4ccccc4Oc4ccccc43)c2)nc(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C30H22N2O3S/c1-21-18-25(31-30(19-21)36(33,34)24-12-3-2-4-13-24)22-10-9-11-23(20-22)32-26-14-5-7-16-28(26)35-29-17-8-6-15-27(29)32/h2-20H,1H3
InChIKeyKHTAFVYRFCYDDS-UHFFFAOYSA-N
XLogP7.47
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.58
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[3-[6-(benzenesulfonyl)-4-methyl-2-pyridinyl]phenyl]phenoxazine?
The IUPAC name of 10-[3-[6-(benzenesulfonyl)-4-methyl-2-pyridinyl]phenyl]phenoxazine (CID 134237355) is 10-[3-[6-(benzenesulfonyl)-4-methyl-2-pyridinyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[3-[6-(benzenesulfonyl)-4-methyl-2-pyridinyl]phenyl]phenoxazine?
The canonical SMILES for 10-[3-[6-(benzenesulfonyl)-4-methyl-2-pyridinyl]phenyl]phenoxazine is Cc1cc(-c2cccc(N3c4ccccc4Oc4ccccc43)c2)nc(S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 10-[3-[6-(benzenesulfonyl)-4-methyl-2-pyridinyl]phenyl]phenoxazine?
The InChIKey is KHTAFVYRFCYDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O3S/c1-21-18-25(31-30(19-21)36(33,34)24-12-3-2-4-13-24)22-10-9-11-23(20-22)32-26-14-5-7-16-28(26)35-29-17-8-6-15-27(29)32/h2-20H,1H3.
What are the key properties of 10-[3-[6-(benzenesulfonyl)-4-methyl-2-pyridinyl]phenyl]phenoxazine?
10-[3-[6-(benzenesulfonyl)-4-methyl-2-pyridinyl]phenyl]phenoxazine has a molecular weight of 490.58 g/mol, XLogP of 7.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[6-(benzenesulfonyl)-4-methyl-2-pyridinyl]phenyl]phenoxazine is sourced from PubChem (CID 134237355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).