2-methyl-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-2,3-dihydroindole-5-sulfonamide

C19H20N6O3S — CID 42922246

IUPAC2-methyl-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccc(-c2nnn(CC(=O)N3c4ccc(S(N)(=O)=O)cc4CC3C)n2)cc1
InChIInChI=1S/C19H20N6O3S/c1-12-3-5-14(6-4-12)19-21-23-24(22-19)11-18(26)25-13(2)9-15-10-16(29(20,27)28)7-8-17(15)25/h3-8,10,13H,9,11H2,1-2H3,(H2,20,27,28)
InChIKeyJMULQFJELLJMPP-UHFFFAOYSA-N
MW412.48 g/mol
LogP1.27
Rot. Bonds4

About 2-methyl-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-2,3-dihydroindole-5-sulfonamide

2-methyl-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 42922246) has the molecular formula C19H20N6O3S and a molecular weight of 412.48 g/mol. Its IUPAC name is 2-methyl-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID42922246
Molecular FormulaC19H20N6O3S
Molecular Weight412.48 g/mol
Exact Mass412.13
IUPAC Name2-methyl-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccc(-c2nnn(CC(=O)N3c4ccc(S(N)(=O)=O)cc4CC3C)n2)cc1
InChIInChI=1S/C19H20N6O3S/c1-12-3-5-14(6-4-12)19-21-23-24(22-19)11-18(26)25-13(2)9-15-10-16(29(20,27)28)7-8-17(15)25/h3-8,10,13H,9,11H2,1-2H3,(H2,20,27,28)
InChIKeyJMULQFJELLJMPP-UHFFFAOYSA-N
XLogP1.27
TPSA124.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3198370
1-[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 55498991
2-methyl-1-[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 42926134
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]ethanone
CID 41113449
2-[5-(2-bromophenyl)tetrazol-2-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8794568
2-methyl-1-[2-(2-methyl-N-propan-2-ylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 86893523
1-[2-(7-chloro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 154806728
(2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 1253684
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone
CID 9128029
1-[2-[bis(2-methoxyethyl)amino]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 43035984
(2S)-1-[2-(N-ethyl-4-fluoroanilino)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 52686297
[2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 27349129

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 2-methyl-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-2,3-dihydroindole-5-sulfonamide (CID 42922246) is 2-methyl-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 2-methyl-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 2-methyl-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-2,3-dihydroindole-5-sulfonamide is Cc1ccc(-c2nnn(CC(=O)N3c4ccc(S(N)(=O)=O)cc4CC3C)n2)cc1.
What is the InChIKey of 2-methyl-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is JMULQFJELLJMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S/c1-12-3-5-14(6-4-12)19-21-23-24(22-19)11-18(26)25-13(2)9-15-10-16(29(20,27)28)7-8-17(15)25/h3-8,10,13H,9,11H2,1-2H3,(H2,20,27,28).
What are the key properties of 2-methyl-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-2,3-dihydroindole-5-sulfonamide?
2-methyl-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 412.48 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 42922246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).