4-(1H-indol-3-ylmethylideneamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C19H16N4O3S — CID 135883352

IUPAC4-(1H-indol-3-ylmethylideneamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(/N=C/c3c[nH]c4ccccc34)cc2)no1
InChIInChI=1S/C19H16N4O3S/c1-13-10-19(22-26-13)23-27(24,25)16-8-6-15(7-9-16)20-11-14-12-21-18-5-3-2-4-17(14)18/h2-12,21H,1H3,(H,22,23)/b20-11+
InChIKeyVJVCWTPYLCRQIB-RGVLZGJSSA-N
MW380.43 g/mol
LogP4.02
Rot. Bonds5

About 4-(1H-indol-3-ylmethylideneamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

4-(1H-indol-3-ylmethylideneamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 135883352) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-(1H-indol-3-ylmethylideneamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1H-indol-3-ylmethylideneamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID135883352
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name4-(1H-indol-3-ylmethylideneamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(/N=C/c3c[nH]c4ccccc34)cc2)no1
InChIInChI=1S/C19H16N4O3S/c1-13-10-19(22-26-13)23-27(24,25)16-8-6-15(7-9-16)20-11-14-12-21-18-5-3-2-4-17(14)18/h2-12,21H,1H3,(H,22,23)/b20-11+
InChIKeyVJVCWTPYLCRQIB-RGVLZGJSSA-N
XLogP4.02
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1H-indol-3-ylmethylideneamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(1H-indol-3-ylmethylideneamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 135883352) is 4-(1H-indol-3-ylmethylideneamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(1H-indol-3-ylmethylideneamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(1H-indol-3-ylmethylideneamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(/N=C/c3c[nH]c4ccccc34)cc2)no1.
What is the InChIKey of 4-(1H-indol-3-ylmethylideneamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is VJVCWTPYLCRQIB-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-13-10-19(22-26-13)23-27(24,25)16-8-6-15(7-9-16)20-11-14-12-21-18-5-3-2-4-17(14)18/h2-12,21H,1H3,(H,22,23)/b20-11+.
What are the key properties of 4-(1H-indol-3-ylmethylideneamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-(1H-indol-3-ylmethylideneamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 380.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-ylmethylideneamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 135883352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).