N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-4-methylbenzenesulfonamide

C18H17N3O3S — CID 1098404

IUPACN-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-4-methylbenzenesulfonamide
SMILESC=CCn1c(O)c(/N=N/S(=O)(=O)c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C18H17N3O3S/c1-3-12-21-16-7-5-4-6-15(16)17(18(21)22)19-20-25(23,24)14-10-8-13(2)9-11-14/h3-11,22H,1,12H2,2H3/b20-19+
InChIKeyIITUGFVZZLIMPB-FMQUCBEESA-N
MW355.42 g/mol
LogP4.31
Rot. Bonds5

About N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-4-methylbenzenesulfonamide

N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-4-methylbenzenesulfonamide (PubChem CID 1098404) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-4-methylbenzenesulfonamide
PubChem CID1098404
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-4-methylbenzenesulfonamide
SMILESC=CCn1c(O)c(/N=N/S(=O)(=O)c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C18H17N3O3S/c1-3-12-21-16-7-5-4-6-15(16)17(18(21)22)19-20-25(23,24)14-10-8-13(2)9-11-14/h3-11,22H,1,12H2,2H3/b20-19+
InChIKeyIITUGFVZZLIMPB-FMQUCBEESA-N
XLogP4.31
TPSA84.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.31
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2-hydroxy-1-prop-2-enylindol-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

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-4-methylbenzenesulfonamide (CID 1098404) is N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-4-methylbenzenesulfonamide is C=CCn1c(O)c(/N=N/S(=O)(=O)c2ccc(C)cc2)c2ccccc21.
What is the InChIKey of N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-4-methylbenzenesulfonamide?
The InChIKey is IITUGFVZZLIMPB-FMQUCBEESA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-3-12-21-16-7-5-4-6-15(16)17(18(21)22)19-20-25(23,24)14-10-8-13(2)9-11-14/h3-11,22H,1,12H2,2H3/b20-19+.
What are the key properties of N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-4-methylbenzenesulfonamide?
N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-4-methylbenzenesulfonamide has a molecular weight of 355.42 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-4-methylbenzenesulfonamide is sourced from PubChem (CID 1098404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).