N-(2-hydroxy-1-methylindol-3-yl)imino-2,4,6-trimethylbenzenesulfonamide

C18H19N3O3S — CID 1362380

IUPACN-(2-hydroxy-1-methylindol-3-yl)imino-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)/N=N/c2c(O)n(C)c3ccccc23)c(C)c1
InChIInChI=1S/C18H19N3O3S/c1-11-9-12(2)17(13(3)10-11)25(23,24)20-19-16-14-7-5-6-8-15(14)21(4)18(16)22/h5-10,22H,1-4H3/b20-19+
InChIKeyNIYNONGAJZDCDU-FMQUCBEESA-N
MW357.44 g/mol
LogP4.28
Rot. Bonds3

About N-(2-hydroxy-1-methylindol-3-yl)imino-2,4,6-trimethylbenzenesulfonamide

N-(2-hydroxy-1-methylindol-3-yl)imino-2,4,6-trimethylbenzenesulfonamide (PubChem CID 1362380) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(2-hydroxy-1-methylindol-3-yl)imino-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-methylindol-3-yl)imino-2,4,6-trimethylbenzenesulfonamide
PubChem CID1362380
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(2-hydroxy-1-methylindol-3-yl)imino-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)/N=N/c2c(O)n(C)c3ccccc23)c(C)c1
InChIInChI=1S/C18H19N3O3S/c1-11-9-12(2)17(13(3)10-11)25(23,24)20-19-16-14-7-5-6-8-15(14)21(4)18(16)22/h5-10,22H,1-4H3/b20-19+
InChIKeyNIYNONGAJZDCDU-FMQUCBEESA-N
XLogP4.28
TPSA84.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.28
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-methylindol-3-yl)imino-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-1-methylindol-3-yl)imino-2,4,6-trimethylbenzenesulfonamide (CID 1362380) is N-(2-hydroxy-1-methylindol-3-yl)imino-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-1-methylindol-3-yl)imino-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-1-methylindol-3-yl)imino-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)/N=N/c2c(O)n(C)c3ccccc23)c(C)c1.
What is the InChIKey of N-(2-hydroxy-1-methylindol-3-yl)imino-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is NIYNONGAJZDCDU-FMQUCBEESA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-11-9-12(2)17(13(3)10-11)25(23,24)20-19-16-14-7-5-6-8-15(14)21(4)18(16)22/h5-10,22H,1-4H3/b20-19+.
What are the key properties of N-(2-hydroxy-1-methylindol-3-yl)imino-2,4,6-trimethylbenzenesulfonamide?
N-(2-hydroxy-1-methylindol-3-yl)imino-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-methylindol-3-yl)imino-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 1362380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).