4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide

C14H10ClN3O3S — CID 137175099

IUPAC4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C14H10ClN3O3S/c15-8-1-6-12-11(7-8)13(14(19)18-12)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H,17,18,19)
InChIKeySIBLIOXEJPMNIR-UHFFFAOYSA-N
MW335.77 g/mol
LogP2.06
Rot. Bonds2

About 4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide

4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide (PubChem CID 137175099) has the molecular formula C14H10ClN3O3S and a molecular weight of 335.77 g/mol. Its IUPAC name is 4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
PubChem CID137175099
Molecular FormulaC14H10ClN3O3S
Molecular Weight335.77 g/mol
Exact Mass335.01
IUPAC Name4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C14H10ClN3O3S/c15-8-1-6-12-11(7-8)13(14(19)18-12)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H,17,18,19)
InChIKeySIBLIOXEJPMNIR-UHFFFAOYSA-N
XLogP2.06
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 52.06
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 4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide?
The IUPAC name of 4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide (CID 137175099) is 4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide?
The canonical SMILES for 4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1.
What is the InChIKey of 4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide?
The InChIKey is SIBLIOXEJPMNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3S/c15-8-1-6-12-11(7-8)13(14(19)18-12)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H,17,18,19).
What are the key properties of 4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide?
4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide has a molecular weight of 335.77 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide is sourced from PubChem (CID 137175099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).