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

C19H15N5O2S2 — CID 71259310

IUPAC3-(4-cyano-2-methylphenyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
SMILESCc1cc(C#N)ccc1-c1cn(C)c2cc(S(=O)(=O)Nc3ncns3)ccc12
InChIInChI=1S/C19H15N5O2S2/c1-12-7-13(9-20)3-5-15(12)17-10-24(2)18-8-14(4-6-16(17)18)28(25,26)23-19-21-11-22-27-19/h3-8,10-11H,1-2H3,(H,21,22,23)
InChIKeyMREGFIWMZXOFAZ-UHFFFAOYSA-N
MW409.50 g/mol
LogP3.68
Rot. Bonds4

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

3-(4-cyano-2-methylphenyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide (PubChem CID 71259310) has the molecular formula C19H15N5O2S2 and a molecular weight of 409.50 g/mol. Its IUPAC name is 3-(4-cyano-2-methylphenyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide.

Molecular Properties

Compound Name3-(4-cyano-2-methylphenyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
PubChem CID71259310
Molecular FormulaC19H15N5O2S2
Molecular Weight409.50 g/mol
Exact Mass409.07
IUPAC Name3-(4-cyano-2-methylphenyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
SMILESCc1cc(C#N)ccc1-c1cn(C)c2cc(S(=O)(=O)Nc3ncns3)ccc12
InChIInChI=1S/C19H15N5O2S2/c1-12-7-13(9-20)3-5-15(12)17-10-24(2)18-8-14(4-6-16(17)18)28(25,26)23-19-21-11-22-27-19/h3-8,10-11H,1-2H3,(H,21,22,23)
InChIKeyMREGFIWMZXOFAZ-UHFFFAOYSA-N
XLogP3.68
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide;hydrochloride
CID 71259206
1-methyl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
CID 71259207
3-[3-bromo-5-(trifluoromethyl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
CID 71259421
3-[2-[1-(azetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide;hydrochloride
CID 90388148
4-[4-(4-chlorophenyl)-1-methylpyrazol-3-yl]oxy-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716180
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-cyano-2-methylphenyl)-N-methyl-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide
CID 123273446
3-methyl-4-[6-(1,2,4-thiadiazol-5-ylmethylsulfonyl)isoquinolin-1-yl]benzonitrile
CID 158301842
N-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 62354753
3-cyano-4-[2,4-dichloro-6-(2-methylpyrazol-3-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71717514
4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716866
3-cyano-4-(4-methoxyphenyl)sulfanyl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 56597767

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyano-2-methylphenyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The IUPAC name of 3-(4-cyano-2-methylphenyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide (CID 71259310) is 3-(4-cyano-2-methylphenyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide.
What is the SMILES notation for 3-(4-cyano-2-methylphenyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The canonical SMILES for 3-(4-cyano-2-methylphenyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide is Cc1cc(C#N)ccc1-c1cn(C)c2cc(S(=O)(=O)Nc3ncns3)ccc12.
What is the InChIKey of 3-(4-cyano-2-methylphenyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The InChIKey is MREGFIWMZXOFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S2/c1-12-7-13(9-20)3-5-15(12)17-10-24(2)18-8-14(4-6-16(17)18)28(25,26)23-19-21-11-22-27-19/h3-8,10-11H,1-2H3,(H,21,22,23).
What are the key properties of 3-(4-cyano-2-methylphenyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
3-(4-cyano-2-methylphenyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide has a molecular weight of 409.50 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyano-2-methylphenyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide is sourced from PubChem (CID 71259310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).