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

C16H12ClN5O2S2 — CID 71259426

IUPAC3-(3-chloro-4-pyridinyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
SMILESCn1cc(-c2ccncc2Cl)c2ccc(S(=O)(=O)Nc3ncns3)cc21
InChIInChI=1S/C16H12ClN5O2S2/c1-22-8-13(11-4-5-18-7-14(11)17)12-3-2-10(6-15(12)22)26(23,24)21-16-19-9-20-25-16/h2-9H,1H3,(H,19,20,21)
InChIKeySTIRYLQMNOJPPF-UHFFFAOYSA-N
MW405.89 g/mol
LogP3.55
Rot. Bonds4

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

3-(3-chloro-4-pyridinyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide (PubChem CID 71259426) has the molecular formula C16H12ClN5O2S2 and a molecular weight of 405.89 g/mol. Its IUPAC name is 3-(3-chloro-4-pyridinyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide.

Molecular Properties

Compound Name3-(3-chloro-4-pyridinyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
PubChem CID71259426
Molecular FormulaC16H12ClN5O2S2
Molecular Weight405.89 g/mol
Exact Mass405.01
IUPAC Name3-(3-chloro-4-pyridinyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
SMILESCn1cc(-c2ccncc2Cl)c2ccc(S(=O)(=O)Nc3ncns3)cc21
InChIInChI=1S/C16H12ClN5O2S2/c1-22-8-13(11-4-5-18-7-14(11)17)12-3-2-10(6-15(12)22)26(23,24)21-16-19-9-20-25-16/h2-9H,1H3,(H,19,20,21)
InChIKeySTIRYLQMNOJPPF-UHFFFAOYSA-N
XLogP3.55
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-pyridinyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The IUPAC name of 3-(3-chloro-4-pyridinyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide (CID 71259426) is 3-(3-chloro-4-pyridinyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide.
What is the SMILES notation for 3-(3-chloro-4-pyridinyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The canonical SMILES for 3-(3-chloro-4-pyridinyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide is Cn1cc(-c2ccncc2Cl)c2ccc(S(=O)(=O)Nc3ncns3)cc21.
What is the InChIKey of 3-(3-chloro-4-pyridinyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The InChIKey is STIRYLQMNOJPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5O2S2/c1-22-8-13(11-4-5-18-7-14(11)17)12-3-2-10(6-15(12)22)26(23,24)21-16-19-9-20-25-16/h2-9H,1H3,(H,19,20,21).
What are the key properties of 3-(3-chloro-4-pyridinyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
3-(3-chloro-4-pyridinyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide has a molecular weight of 405.89 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-pyridinyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide is sourced from PubChem (CID 71259426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).