N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-propan-2-ylbenzenesulfonamide

C17H16ClN3O3S — CID 135647686

IUPACN-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C17H16ClN3O3S/c1-10(2)11-3-6-13(7-4-11)25(23,24)21-20-16-14-9-12(18)5-8-15(14)19-17(16)22/h3-10,19,22H,1-2H3/b21-20+
InChIKeyLHZVRFXWVYJWCU-QZQOTICOSA-N
MW377.85 g/mol
LogP5.12
Rot. Bonds4

About N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-propan-2-ylbenzenesulfonamide

N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-propan-2-ylbenzenesulfonamide (PubChem CID 135647686) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-propan-2-ylbenzenesulfonamide
PubChem CID135647686
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC NameN-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C17H16ClN3O3S/c1-10(2)11-3-6-13(7-4-11)25(23,24)21-20-16-14-9-12(18)5-8-15(14)19-17(16)22/h3-10,19,22H,1-2H3/b21-20+
InChIKeyLHZVRFXWVYJWCU-QZQOTICOSA-N
XLogP5.12
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.85
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-propan-2-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide
CID 3718763
4-ethoxy-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzenesulfonamide
CID 135775393
4-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide
CID 1380360
4-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide
CID 685818
N,N'-bis[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]decanediamide
CID 4631655
4-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide
CID 135775134
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2,4,6-trimethylbenzenesulfonamide
CID 135758839
5-chloro-3-[(6-chloropyridazin-3-yl)diazenyl]-1H-indol-2-ol
CID 135983033
5-chloro-3-[(2,3-dichlorophenyl)diazenyl]-1H-indol-2-ol
CID 136867697
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide;N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-hydrazinyl-4-oxobutanamide
CID 135810853
N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-methylbenzenesulfonamide
CID 2295445
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide
CID 2424477

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-propan-2-ylbenzenesulfonamide (CID 135647686) is N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is LHZVRFXWVYJWCU-QZQOTICOSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c1-10(2)11-3-6-13(7-4-11)25(23,24)21-20-16-14-9-12(18)5-8-15(14)19-17(16)22/h3-10,19,22H,1-2H3/b21-20+.
What are the key properties of N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-propan-2-ylbenzenesulfonamide?
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 377.85 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 135647686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).