3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide

C21H17ClN6O2S2 — CID 71259325

IUPAC3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
SMILESCn1nccc1-c1cc(Cl)ccc1-c1cn(C)c2cc(S(=O)(=O)Nc3ncns3)ccc12
InChIInChI=1S/C21H17ClN6O2S2/c1-27-11-18(15-5-3-13(22)9-17(15)19-7-8-24-28(19)2)16-6-4-14(10-20(16)27)32(29,30)26-21-23-12-25-31-21/h3-12H,1-2H3,(H,23,25,26)
InChIKeyVNGPUXDFCYCCNK-UHFFFAOYSA-N
MW484.99 g/mol
LogP4.55
Rot. Bonds5

About 3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide

3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide (PubChem CID 71259325) has the molecular formula C21H17ClN6O2S2 and a molecular weight of 484.99 g/mol. Its IUPAC name is 3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide.

Molecular Properties

Compound Name3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
PubChem CID71259325
Molecular FormulaC21H17ClN6O2S2
Molecular Weight484.99 g/mol
Exact Mass484.05
IUPAC Name3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
SMILESCn1nccc1-c1cc(Cl)ccc1-c1cn(C)c2cc(S(=O)(=O)Nc3ncns3)ccc12
InChIInChI=1S/C21H17ClN6O2S2/c1-27-11-18(15-5-3-13(22)9-17(15)19-7-8-24-28(19)2)16-6-4-14(10-20(16)27)32(29,30)26-21-23-12-25-31-21/h3-12H,1-2H3,(H,23,25,26)
InChIKeyVNGPUXDFCYCCNK-UHFFFAOYSA-N
XLogP4.55
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.99
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-3-[2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)phenyl]-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
CID 71259239
1-methyl-3-(2-(1-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl)-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide
CID 71259621
1-acetyl-3-(2-(1-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl)-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide
CID 71259876
1-methyl-3-[2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl]-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
CID 73353621
3-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
CID 73355116
3-[2-[1-(azetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
CID 71259303
3-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide
CID 71259453
Methyl 3-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-6-(1,2,4-thiadiazol-5-ylsulfamoyl)indole-1-carboxylate
CID 71259636
3-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-1-methylsulfonyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
CID 71259882
3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide
CID 71263836
3-(2-chloro-4-(trifluoromethyl)phenyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide
CID 71263926
5-(4-chloro-2-(1-methyl-1H-pyrazol-5-yl)phenyl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
CID 86687351

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The IUPAC name of 3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide (CID 71259325) is 3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide.
What is the SMILES notation for 3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The canonical SMILES for 3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide is Cn1nccc1-c1cc(Cl)ccc1-c1cn(C)c2cc(S(=O)(=O)Nc3ncns3)ccc12.
What is the InChIKey of 3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The InChIKey is VNGPUXDFCYCCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN6O2S2/c1-27-11-18(15-5-3-13(22)9-17(15)19-7-8-24-28(19)2)16-6-4-14(10-20(16)27)32(29,30)26-21-23-12-25-31-21/h3-12H,1-2H3,(H,23,25,26).
What are the key properties of 3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide has a molecular weight of 484.99 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide is sourced from PubChem (CID 71259325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).