N-(1-benzyl-2-hydroxy-5-methylindol-3-yl)imino-4-methylbenzenesulfonamide

C23H21N3O3S — CID 135900973

IUPACN-(1-benzyl-2-hydroxy-5-methylindol-3-yl)imino-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=N/c2c(O)n(Cc3ccccc3)c3ccc(C)cc23)cc1
InChIInChI=1S/C23H21N3O3S/c1-16-8-11-19(12-9-16)30(28,29)25-24-22-20-14-17(2)10-13-21(20)26(23(22)27)15-18-6-4-3-5-7-18/h3-14,27H,15H2,1-2H3/b25-24+
InChIKeyVHNNMVMZZUSTFP-OCOZRVBESA-N
MW419.51 g/mol
LogP5.48
Rot. Bonds5

About N-(1-benzyl-2-hydroxy-5-methylindol-3-yl)imino-4-methylbenzenesulfonamide

N-(1-benzyl-2-hydroxy-5-methylindol-3-yl)imino-4-methylbenzenesulfonamide (PubChem CID 135900973) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-(1-benzyl-2-hydroxy-5-methylindol-3-yl)imino-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-2-hydroxy-5-methylindol-3-yl)imino-4-methylbenzenesulfonamide
PubChem CID135900973
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-(1-benzyl-2-hydroxy-5-methylindol-3-yl)imino-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=N/c2c(O)n(Cc3ccccc3)c3ccc(C)cc23)cc1
InChIInChI=1S/C23H21N3O3S/c1-16-8-11-19(12-9-16)30(28,29)25-24-22-20-14-17(2)10-13-21(20)26(23(22)27)15-18-6-4-3-5-7-18/h3-14,27H,15H2,1-2H3/b25-24+
InChIKeyVHNNMVMZZUSTFP-OCOZRVBESA-N
XLogP5.48
TPSA84.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.51
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1-benzyl-2-hydroxy-5-methylindol-3-yl)imino-4-methylbenzenesulfonamide 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-(1-benzyl-5-chloro-2-hydroxyindol-3-yl)iminobenzenesulfonamide
CID 135537733
N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-methylbenzenesulfonamide
CID 2295445
N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-4-methylbenzenesulfonamide
CID 1098404
N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzenesulfonamide
CID 2461663
N-(1-benzyl-5-bromo-2-hydroxyindol-3-yl)imino-3-methylbenzamide
CID 3984836
5-benzyl-2,9-dimethylphenanthridin-6-one
CID 86257513
N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide
CID 4501413
1-ethyl-5-methyl-3-[(2-nitrophenyl)diazenyl]indol-2-ol
CID 135819452
1-benzyl-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol
CID 4989962
9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole
CID 58883537
10-benzyl-2-chloro-7-methylacridin-9-one
CID 139792411
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide
CID 4500546

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-hydroxy-5-methylindol-3-yl)imino-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-benzyl-2-hydroxy-5-methylindol-3-yl)imino-4-methylbenzenesulfonamide (CID 135900973) is N-(1-benzyl-2-hydroxy-5-methylindol-3-yl)imino-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-benzyl-2-hydroxy-5-methylindol-3-yl)imino-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-benzyl-2-hydroxy-5-methylindol-3-yl)imino-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=N/c2c(O)n(Cc3ccccc3)c3ccc(C)cc23)cc1.
What is the InChIKey of N-(1-benzyl-2-hydroxy-5-methylindol-3-yl)imino-4-methylbenzenesulfonamide?
The InChIKey is VHNNMVMZZUSTFP-OCOZRVBESA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-16-8-11-19(12-9-16)30(28,29)25-24-22-20-14-17(2)10-13-21(20)26(23(22)27)15-18-6-4-3-5-7-18/h3-14,27H,15H2,1-2H3/b25-24+.
What are the key properties of N-(1-benzyl-2-hydroxy-5-methylindol-3-yl)imino-4-methylbenzenesulfonamide?
N-(1-benzyl-2-hydroxy-5-methylindol-3-yl)imino-4-methylbenzenesulfonamide has a molecular weight of 419.51 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-hydroxy-5-methylindol-3-yl)imino-4-methylbenzenesulfonamide is sourced from PubChem (CID 135900973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).