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

C16H13N5O2S2 — CID 71259357

IUPAC1-methyl-3-pyridin-3-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
SMILESCn1cc(-c2cccnc2)c2ccc(S(=O)(=O)Nc3ncns3)cc21
InChIInChI=1S/C16H13N5O2S2/c1-21-9-14(11-3-2-6-17-8-11)13-5-4-12(7-15(13)21)25(22,23)20-16-18-10-19-24-16/h2-10H,1H3,(H,18,19,20)
InChIKeySHPXAWZPNJIJGI-UHFFFAOYSA-N
MW371.45 g/mol
LogP2.89
Rot. Bonds4

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

1-methyl-3-pyridin-3-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide (PubChem CID 71259357) has the molecular formula C16H13N5O2S2 and a molecular weight of 371.45 g/mol. Its IUPAC name is 1-methyl-3-pyridin-3-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide.

Molecular Properties

Compound Name1-methyl-3-pyridin-3-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
PubChem CID71259357
Molecular FormulaC16H13N5O2S2
Molecular Weight371.45 g/mol
Exact Mass371.05
IUPAC Name1-methyl-3-pyridin-3-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
SMILESCn1cc(-c2cccnc2)c2ccc(S(=O)(=O)Nc3ncns3)cc21
InChIInChI=1S/C16H13N5O2S2/c1-21-9-14(11-3-2-6-17-8-11)13-5-4-12(7-15(13)21)25(22,23)20-16-18-10-19-24-16/h2-10H,1H3,(H,18,19,20)
InChIKeySHPXAWZPNJIJGI-UHFFFAOYSA-N
XLogP2.89
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyridin-3-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The IUPAC name of 1-methyl-3-pyridin-3-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide (CID 71259357) is 1-methyl-3-pyridin-3-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide.
What is the SMILES notation for 1-methyl-3-pyridin-3-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The canonical SMILES for 1-methyl-3-pyridin-3-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide is Cn1cc(-c2cccnc2)c2ccc(S(=O)(=O)Nc3ncns3)cc21.
What is the InChIKey of 1-methyl-3-pyridin-3-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The InChIKey is SHPXAWZPNJIJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S2/c1-21-9-14(11-3-2-6-17-8-11)13-5-4-12(7-15(13)21)25(22,23)20-16-18-10-19-24-16/h2-10H,1H3,(H,18,19,20).
What are the key properties of 1-methyl-3-pyridin-3-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
1-methyl-3-pyridin-3-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide has a molecular weight of 371.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyridin-3-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide is sourced from PubChem (CID 71259357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).