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

C20H19N5O2S2 — CID 71259207

IUPAC1-methyl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
SMILESCn1cc(-c2cccc3c2CCNC3)c2ccc(S(=O)(=O)Nc3ncns3)cc21
InChIInChI=1S/C20H19N5O2S2/c1-25-11-18(16-4-2-3-13-10-21-8-7-15(13)16)17-6-5-14(9-19(17)25)29(26,27)24-20-22-12-23-28-20/h2-6,9,11-12,21H,7-8,10H2,1H3,(H,22,23,24)
InChIKeyKWGPACHQZNIKFQ-UHFFFAOYSA-N
MW425.54 g/mol
LogP3.14
Rot. Bonds4

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

1-methyl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide (PubChem CID 71259207) has the molecular formula C20H19N5O2S2 and a molecular weight of 425.54 g/mol. Its IUPAC name is 1-methyl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide.

Molecular Properties

Compound Name1-methyl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
PubChem CID71259207
Molecular FormulaC20H19N5O2S2
Molecular Weight425.54 g/mol
Exact Mass425.10
IUPAC Name1-methyl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
SMILESCn1cc(-c2cccc3c2CCNC3)c2ccc(S(=O)(=O)Nc3ncns3)cc21
InChIInChI=1S/C20H19N5O2S2/c1-25-11-18(16-4-2-3-13-10-21-8-7-15(13)16)17-6-5-14(9-19(17)25)29(26,27)24-20-22-12-23-28-20/h2-6,9,11-12,21H,7-8,10H2,1H3,(H,22,23,24)
InChIKeyKWGPACHQZNIKFQ-UHFFFAOYSA-N
XLogP3.14
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 53.14
H-Bond Donors ≤ 52
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
3-(4-cyano-2-methylphenyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
CID 71259310
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
5-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
CID 86687351
3-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-1-methylsulfonyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
CID 71259882
2,5-difluoro-4-[(1R)-1-(1,2,3,4-tetrahydroisoquinolin-8-yl)ethoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 145181767
3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide
CID 43808517
5-[2-(2,5-dihydro-1H-pyrrol-3-yl)-4-(trifluoromethyl)phenyl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 71736590
3-tert-butyl-4-pyrrol-1-yl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 141178966
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride
CID 21271748
3-chloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide
CID 80547847

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The IUPAC name of 1-methyl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide (CID 71259207) is 1-methyl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide.
What is the SMILES notation for 1-methyl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The canonical SMILES for 1-methyl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide is Cn1cc(-c2cccc3c2CCNC3)c2ccc(S(=O)(=O)Nc3ncns3)cc21.
What is the InChIKey of 1-methyl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The InChIKey is KWGPACHQZNIKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S2/c1-25-11-18(16-4-2-3-13-10-21-8-7-15(13)16)17-6-5-14(9-19(17)25)29(26,27)24-20-22-12-23-28-20/h2-6,9,11-12,21H,7-8,10H2,1H3,(H,22,23,24).
What are the key properties of 1-methyl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
1-methyl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide has a molecular weight of 425.54 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide is sourced from PubChem (CID 71259207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).