5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-3-sulfonamide

C12H12N4O3S — CID 64851285

IUPAC5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2c[nH]c3ccc(N)cc23)on1
InChIInChI=1S/C12H12N4O3S/c1-7-4-12(19-15-7)16-20(17,18)11-6-14-10-3-2-8(13)5-9(10)11/h2-6,14,16H,13H2,1H3
InChIKeyQSINBJMOUKVJFH-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.85
Rot. Bonds3

About 5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-3-sulfonamide

5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-3-sulfonamide (PubChem CID 64851285) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-3-sulfonamide
PubChem CID64851285
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2c[nH]c3ccc(N)cc23)on1
InChIInChI=1S/C12H12N4O3S/c1-7-4-12(19-15-7)16-20(17,18)11-6-14-10-3-2-8(13)5-9(10)11/h2-6,14,16H,13H2,1H3
InChIKeyQSINBJMOUKVJFH-UHFFFAOYSA-N
XLogP1.85
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-3-sulfonamide?
The IUPAC name of 5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-3-sulfonamide (CID 64851285) is 5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-3-sulfonamide?
The canonical SMILES for 5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-3-sulfonamide is Cc1cc(NS(=O)(=O)c2c[nH]c3ccc(N)cc23)on1.
What is the InChIKey of 5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-3-sulfonamide?
The InChIKey is QSINBJMOUKVJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-7-4-12(19-15-7)16-20(17,18)11-6-14-10-3-2-8(13)5-9(10)11/h2-6,14,16H,13H2,1H3.
What are the key properties of 5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-3-sulfonamide?
5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-3-sulfonamide has a molecular weight of 292.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 64851285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).