2,3-dioxo-1-[(4-propan-2-ylphenyl)methyl]indole-5-sulfonamide

C18H18N2O4S — CID 129218462

IUPAC2,3-dioxo-1-[(4-propan-2-ylphenyl)methyl]indole-5-sulfonamide
SMILESCC(C)c1ccc(CN2C(=O)C(=O)c3cc(S(N)(=O)=O)ccc32)cc1
InChIInChI=1S/C18H18N2O4S/c1-11(2)13-5-3-12(4-6-13)10-20-16-8-7-14(25(19,23)24)9-15(16)17(21)18(20)22/h3-9,11H,10H2,1-2H3,(H2,19,23,24)
InChIKeyJDUJGYDXCQCFRO-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.19
Rot. Bonds4

About 2,3-dioxo-1-[(4-propan-2-ylphenyl)methyl]indole-5-sulfonamide

2,3-dioxo-1-[(4-propan-2-ylphenyl)methyl]indole-5-sulfonamide (PubChem CID 129218462) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2,3-dioxo-1-[(4-propan-2-ylphenyl)methyl]indole-5-sulfonamide.

Molecular Properties

Compound Name2,3-dioxo-1-[(4-propan-2-ylphenyl)methyl]indole-5-sulfonamide
PubChem CID129218462
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name2,3-dioxo-1-[(4-propan-2-ylphenyl)methyl]indole-5-sulfonamide
SMILESCC(C)c1ccc(CN2C(=O)C(=O)c3cc(S(N)(=O)=O)ccc32)cc1
InChIInChI=1S/C18H18N2O4S/c1-11(2)13-5-3-12(4-6-13)10-20-16-8-7-14(25(19,23)24)9-15(16)17(21)18(20)22/h3-9,11H,10H2,1-2H3,(H2,19,23,24)
InChIKeyJDUJGYDXCQCFRO-UHFFFAOYSA-N
XLogP2.19
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dioxo-1-[(4-propan-2-ylphenyl)methyl]indole-5-sulfonamide?
The IUPAC name of 2,3-dioxo-1-[(4-propan-2-ylphenyl)methyl]indole-5-sulfonamide (CID 129218462) is 2,3-dioxo-1-[(4-propan-2-ylphenyl)methyl]indole-5-sulfonamide.
What is the SMILES notation for 2,3-dioxo-1-[(4-propan-2-ylphenyl)methyl]indole-5-sulfonamide?
The canonical SMILES for 2,3-dioxo-1-[(4-propan-2-ylphenyl)methyl]indole-5-sulfonamide is CC(C)c1ccc(CN2C(=O)C(=O)c3cc(S(N)(=O)=O)ccc32)cc1.
What is the InChIKey of 2,3-dioxo-1-[(4-propan-2-ylphenyl)methyl]indole-5-sulfonamide?
The InChIKey is JDUJGYDXCQCFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-11(2)13-5-3-12(4-6-13)10-20-16-8-7-14(25(19,23)24)9-15(16)17(21)18(20)22/h3-9,11H,10H2,1-2H3,(H2,19,23,24).
What are the key properties of 2,3-dioxo-1-[(4-propan-2-ylphenyl)methyl]indole-5-sulfonamide?
2,3-dioxo-1-[(4-propan-2-ylphenyl)methyl]indole-5-sulfonamide has a molecular weight of 358.42 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxo-1-[(4-propan-2-ylphenyl)methyl]indole-5-sulfonamide is sourced from PubChem (CID 129218462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).