1-(2-hydroxy-4-methylphenyl)sulfonyl-3,4-dihydrobenzo[cd]indol-5-one

C18H15NO4S — CID 57110654

IUPAC1-(2-hydroxy-4-methylphenyl)sulfonyl-3,4-dihydrobenzo[cd]indol-5-one
SMILESCc1ccc(S(=O)(=O)n2cc3c4c(cccc42)C(=O)CC3)c(O)c1
InChIInChI=1S/C18H15NO4S/c1-11-5-8-17(16(21)9-11)24(22,23)19-10-12-6-7-15(20)13-3-2-4-14(19)18(12)13/h2-5,8-10,21H,6-7H2,1H3
InChIKeySXPZNZQRZBOLPG-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.02
Rot. Bonds2

About 1-(2-hydroxy-4-methylphenyl)sulfonyl-3,4-dihydrobenzo[cd]indol-5-one

1-(2-hydroxy-4-methylphenyl)sulfonyl-3,4-dihydrobenzo[cd]indol-5-one (PubChem CID 57110654) has the molecular formula C18H15NO4S and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methylphenyl)sulfonyl-3,4-dihydrobenzo[cd]indol-5-one.

Molecular Properties

Compound Name1-(2-hydroxy-4-methylphenyl)sulfonyl-3,4-dihydrobenzo[cd]indol-5-one
PubChem CID57110654
Molecular FormulaC18H15NO4S
Molecular Weight341.39 g/mol
Exact Mass341.07
IUPAC Name1-(2-hydroxy-4-methylphenyl)sulfonyl-3,4-dihydrobenzo[cd]indol-5-one
SMILESCc1ccc(S(=O)(=O)n2cc3c4c(cccc42)C(=O)CC3)c(O)c1
InChIInChI=1S/C18H15NO4S/c1-11-5-8-17(16(21)9-11)24(22,23)19-10-12-6-7-15(20)13-3-2-4-14(19)18(12)13/h2-5,8-10,21H,6-7H2,1H3
InChIKeySXPZNZQRZBOLPG-UHFFFAOYSA-N
XLogP3.02
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methylphenyl)sulfonyl-3,4-dihydrobenzo[cd]indol-5-one?
The IUPAC name of 1-(2-hydroxy-4-methylphenyl)sulfonyl-3,4-dihydrobenzo[cd]indol-5-one (CID 57110654) is 1-(2-hydroxy-4-methylphenyl)sulfonyl-3,4-dihydrobenzo[cd]indol-5-one.
What is the SMILES notation for 1-(2-hydroxy-4-methylphenyl)sulfonyl-3,4-dihydrobenzo[cd]indol-5-one?
The canonical SMILES for 1-(2-hydroxy-4-methylphenyl)sulfonyl-3,4-dihydrobenzo[cd]indol-5-one is Cc1ccc(S(=O)(=O)n2cc3c4c(cccc42)C(=O)CC3)c(O)c1.
What is the InChIKey of 1-(2-hydroxy-4-methylphenyl)sulfonyl-3,4-dihydrobenzo[cd]indol-5-one?
The InChIKey is SXPZNZQRZBOLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S/c1-11-5-8-17(16(21)9-11)24(22,23)19-10-12-6-7-15(20)13-3-2-4-14(19)18(12)13/h2-5,8-10,21H,6-7H2,1H3.
What are the key properties of 1-(2-hydroxy-4-methylphenyl)sulfonyl-3,4-dihydrobenzo[cd]indol-5-one?
1-(2-hydroxy-4-methylphenyl)sulfonyl-3,4-dihydrobenzo[cd]indol-5-one has a molecular weight of 341.39 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methylphenyl)sulfonyl-3,4-dihydrobenzo[cd]indol-5-one is sourced from PubChem (CID 57110654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).