N-(5-methoxy-1,2,4-thiadiazol-3-yl)-6-methyl-1H-indole-3-sulfonamide

C12H12N4O3S2 — CID 176711047

IUPACN-(5-methoxy-1,2,4-thiadiazol-3-yl)-6-methyl-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3cc(C)ccc23)ns1
InChIInChI=1S/C12H12N4O3S2/c1-7-3-4-8-9(5-7)13-6-10(8)21(17,18)16-11-14-12(19-2)20-15-11/h3-6,13H,1-2H3,(H,15,16)
InChIKeyVITHMLUCZVOVGO-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.14
Rot. Bonds4

About N-(5-methoxy-1,2,4-thiadiazol-3-yl)-6-methyl-1H-indole-3-sulfonamide

N-(5-methoxy-1,2,4-thiadiazol-3-yl)-6-methyl-1H-indole-3-sulfonamide (PubChem CID 176711047) has the molecular formula C12H12N4O3S2 and a molecular weight of 324.39 g/mol. Its IUPAC name is N-(5-methoxy-1,2,4-thiadiazol-3-yl)-6-methyl-1H-indole-3-sulfonamide.

Molecular Properties

Compound NameN-(5-methoxy-1,2,4-thiadiazol-3-yl)-6-methyl-1H-indole-3-sulfonamide
PubChem CID176711047
Molecular FormulaC12H12N4O3S2
Molecular Weight324.39 g/mol
Exact Mass324.04
IUPAC NameN-(5-methoxy-1,2,4-thiadiazol-3-yl)-6-methyl-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3cc(C)ccc23)ns1
InChIInChI=1S/C12H12N4O3S2/c1-7-3-4-8-9(5-7)13-6-10(8)21(17,18)16-11-14-12(19-2)20-15-11/h3-6,13H,1-2H3,(H,15,16)
InChIKeyVITHMLUCZVOVGO-UHFFFAOYSA-N
XLogP2.14
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-1,2,4-thiadiazol-3-yl)-6-methyl-1H-indole-3-sulfonamide?
The IUPAC name of N-(5-methoxy-1,2,4-thiadiazol-3-yl)-6-methyl-1H-indole-3-sulfonamide (CID 176711047) is N-(5-methoxy-1,2,4-thiadiazol-3-yl)-6-methyl-1H-indole-3-sulfonamide.
What is the SMILES notation for N-(5-methoxy-1,2,4-thiadiazol-3-yl)-6-methyl-1H-indole-3-sulfonamide?
The canonical SMILES for N-(5-methoxy-1,2,4-thiadiazol-3-yl)-6-methyl-1H-indole-3-sulfonamide is COc1nc(NS(=O)(=O)c2c[nH]c3cc(C)ccc23)ns1.
What is the InChIKey of N-(5-methoxy-1,2,4-thiadiazol-3-yl)-6-methyl-1H-indole-3-sulfonamide?
The InChIKey is VITHMLUCZVOVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S2/c1-7-3-4-8-9(5-7)13-6-10(8)21(17,18)16-11-14-12(19-2)20-15-11/h3-6,13H,1-2H3,(H,15,16).
What are the key properties of N-(5-methoxy-1,2,4-thiadiazol-3-yl)-6-methyl-1H-indole-3-sulfonamide?
N-(5-methoxy-1,2,4-thiadiazol-3-yl)-6-methyl-1H-indole-3-sulfonamide has a molecular weight of 324.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-1,2,4-thiadiazol-3-yl)-6-methyl-1H-indole-3-sulfonamide is sourced from PubChem (CID 176711047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).