4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]benzenesulfonamide

C15H12ClN3O3S — CID 127030963

IUPAC4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]benzenesulfonamide
SMILESCN1C(=O)/C(=N\c2ccc(S(N)(=O)=O)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C15H12ClN3O3S/c1-19-13-7-2-9(16)8-12(13)14(15(19)20)18-10-3-5-11(6-4-10)23(17,21)22/h2-8H,1H3,(H2,17,21,22)/b18-14-
InChIKeyYFJSMGRSYXMILP-JXAWBTAJSA-N
MW349.80 g/mol
LogP2.08
Rot. Bonds2

About 4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]benzenesulfonamide

4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]benzenesulfonamide (PubChem CID 127030963) has the molecular formula C15H12ClN3O3S and a molecular weight of 349.80 g/mol. Its IUPAC name is 4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]benzenesulfonamide
PubChem CID127030963
Molecular FormulaC15H12ClN3O3S
Molecular Weight349.80 g/mol
Exact Mass349.03
IUPAC Name4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]benzenesulfonamide
SMILESCN1C(=O)/C(=N\c2ccc(S(N)(=O)=O)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C15H12ClN3O3S/c1-19-13-7-2-9(16)8-12(13)14(15(19)20)18-10-3-5-11(6-4-10)23(17,21)22/h2-8H,1H3,(H2,17,21,22)/b18-14-
InChIKeyYFJSMGRSYXMILP-JXAWBTAJSA-N
XLogP2.08
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 52.08
H-Bond Donors ≤ 51
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-1-methyl-2-oxoindol-3-ylidene)amino]benzenesulfonamide?
The IUPAC name of 4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]benzenesulfonamide (CID 127030963) is 4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]benzenesulfonamide?
The canonical SMILES for 4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]benzenesulfonamide is CN1C(=O)/C(=N\c2ccc(S(N)(=O)=O)cc2)c2cc(Cl)ccc21.
What is the InChIKey of 4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]benzenesulfonamide?
The InChIKey is YFJSMGRSYXMILP-JXAWBTAJSA-N. The full InChI is InChI=1S/C15H12ClN3O3S/c1-19-13-7-2-9(16)8-12(13)14(15(19)20)18-10-3-5-11(6-4-10)23(17,21)22/h2-8H,1H3,(H2,17,21,22)/b18-14-.
What are the key properties of 4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]benzenesulfonamide?
4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]benzenesulfonamide has a molecular weight of 349.80 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]benzenesulfonamide is sourced from PubChem (CID 127030963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).