3-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide

C15H13N3O3S — CID 137028519

IUPAC3-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
SMILESCc1ccc2c(c1)/C(=N/c1cccc(S(N)(=O)=O)c1)C(=O)N2
InChIInChI=1S/C15H13N3O3S/c1-9-5-6-13-12(7-9)14(15(19)18-13)17-10-3-2-4-11(8-10)22(16,20)21/h2-8H,1H3,(H2,16,20,21)(H,17,18,19)
InChIKeyMGEFUUBEKQFGOS-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.72
Rot. Bonds2

About 3-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide

3-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide (PubChem CID 137028519) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
PubChem CID137028519
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name3-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
SMILESCc1ccc2c(c1)/C(=N/c1cccc(S(N)(=O)=O)c1)C(=O)N2
InChIInChI=1S/C15H13N3O3S/c1-9-5-6-13-12(7-9)14(15(19)18-13)17-10-3-2-4-11(8-10)22(16,20)21/h2-8H,1H3,(H2,16,20,21)(H,17,18,19)
InChIKeyMGEFUUBEKQFGOS-UHFFFAOYSA-N
XLogP1.72
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide?
The IUPAC name of 3-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide (CID 137028519) is 3-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide.
What is the SMILES notation for 3-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide?
The canonical SMILES for 3-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide is Cc1ccc2c(c1)/C(=N/c1cccc(S(N)(=O)=O)c1)C(=O)N2.
What is the InChIKey of 3-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide?
The InChIKey is MGEFUUBEKQFGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-9-5-6-13-12(7-9)14(15(19)18-13)17-10-3-2-4-11(8-10)22(16,20)21/h2-8H,1H3,(H2,16,20,21)(H,17,18,19).
What are the key properties of 3-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide?
3-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide has a molecular weight of 315.35 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide is sourced from PubChem (CID 137028519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).