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

C19H19N5O2S2 — CID 71259354

IUPAC3-[3-(dimethylamino)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
SMILESCN(C)c1cccc(-c2cn(C)c3cc(S(=O)(=O)Nc4ncns4)ccc23)c1
InChIInChI=1S/C19H19N5O2S2/c1-23(2)14-6-4-5-13(9-14)17-11-24(3)18-10-15(7-8-16(17)18)28(25,26)22-19-20-12-21-27-19/h4-12H,1-3H3,(H,20,21,22)
InChIKeyYFTWJMJJNTUAPW-UHFFFAOYSA-N
MW413.53 g/mol
LogP3.56
Rot. Bonds5

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

3-[3-(dimethylamino)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide (PubChem CID 71259354) has the molecular formula C19H19N5O2S2 and a molecular weight of 413.53 g/mol. Its IUPAC name is 3-[3-(dimethylamino)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
PubChem CID71259354
Molecular FormulaC19H19N5O2S2
Molecular Weight413.53 g/mol
Exact Mass413.10
IUPAC Name3-[3-(dimethylamino)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
SMILESCN(C)c1cccc(-c2cn(C)c3cc(S(=O)(=O)Nc4ncns4)ccc23)c1
InChIInChI=1S/C19H19N5O2S2/c1-23(2)14-6-4-5-13(9-14)17-11-24(3)18-10-15(7-8-16(17)18)28(25,26)22-19-20-12-21-27-19/h4-12H,1-3H3,(H,20,21,22)
InChIKeyYFTWJMJJNTUAPW-UHFFFAOYSA-N
XLogP3.56
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The IUPAC name of 3-[3-(dimethylamino)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide (CID 71259354) is 3-[3-(dimethylamino)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide.
What is the SMILES notation for 3-[3-(dimethylamino)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The canonical SMILES for 3-[3-(dimethylamino)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide is CN(C)c1cccc(-c2cn(C)c3cc(S(=O)(=O)Nc4ncns4)ccc23)c1.
What is the InChIKey of 3-[3-(dimethylamino)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The InChIKey is YFTWJMJJNTUAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S2/c1-23(2)14-6-4-5-13(9-14)17-11-24(3)18-10-15(7-8-16(17)18)28(25,26)22-19-20-12-21-27-19/h4-12H,1-3H3,(H,20,21,22).
What are the key properties of 3-[3-(dimethylamino)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
3-[3-(dimethylamino)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide has a molecular weight of 413.53 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide is sourced from PubChem (CID 71259354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).