1-[(4-chlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide

C15H11ClN2O4S — CID 129218459

IUPAC1-[(4-chlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O4S/c16-10-3-1-9(2-4-10)8-18-13-6-5-11(23(17,21)22)7-12(13)14(19)15(18)20/h1-7H,8H2,(H2,17,21,22)
InChIKeyPHIAVKVHNMVRCY-UHFFFAOYSA-N
MW350.78 g/mol
LogP1.72
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide

1-[(4-chlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide (PubChem CID 129218459) has the molecular formula C15H11ClN2O4S and a molecular weight of 350.78 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide
PubChem CID129218459
Molecular FormulaC15H11ClN2O4S
Molecular Weight350.78 g/mol
Exact Mass350.01
IUPAC Name1-[(4-chlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O4S/c16-10-3-1-9(2-4-10)8-18-13-6-5-11(23(17,21)22)7-12(13)14(19)15(18)20/h1-7H,8H2,(H2,17,21,22)
InChIKeyPHIAVKVHNMVRCY-UHFFFAOYSA-N
XLogP1.72
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 51.72
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 1-[(4-chlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide (CID 129218459) is 1-[(4-chlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide?
The InChIKey is PHIAVKVHNMVRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O4S/c16-10-3-1-9(2-4-10)8-18-13-6-5-11(23(17,21)22)7-12(13)14(19)15(18)20/h1-7H,8H2,(H2,17,21,22).
What are the key properties of 1-[(4-chlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide?
1-[(4-chlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide has a molecular weight of 350.78 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide is sourced from PubChem (CID 129218459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).