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

C19H31N5O5S2 — CID 55498991

IUPAC1-[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3CC2C)CC1
InChIInChI=1S/C19H31N5O5S2/c1-4-22(5-2)31(28,29)23-10-8-21(9-11-23)14-19(25)24-15(3)12-16-13-17(30(20,26)27)6-7-18(16)24/h6-7,13,15H,4-5,8-12,14H2,1-3H3,(H2,20,26,27)
InChIKeyNLBAAOWLTJFDIN-UHFFFAOYSA-N
MW473.62 g/mol
LogP-0.18
Rot. Bonds7

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

1-[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 55498991) has the molecular formula C19H31N5O5S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is 1-[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID55498991
Molecular FormulaC19H31N5O5S2
Molecular Weight473.62 g/mol
Exact Mass473.18
IUPAC Name1-[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3CC2C)CC1
InChIInChI=1S/C19H31N5O5S2/c1-4-22(5-2)31(28,29)23-10-8-21(9-11-23)14-19(25)24-15(3)12-16-13-17(30(20,26)27)6-7-18(16)24/h6-7,13,15H,4-5,8-12,14H2,1-3H3,(H2,20,26,27)
InChIKeyNLBAAOWLTJFDIN-UHFFFAOYSA-N
XLogP-0.18
TPSA124.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 42922246
(2S)-1-[2-(N-ethyl-4-fluoroanilino)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 52686297
2-[4-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55508351
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-[2-[bis(2-methoxyethyl)amino]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 43035984
1-[2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 86959289
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 43039531
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46425525
1-[2-(7-chloro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 154806728
1-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 16599297
2-methyl-1-[2-(2-methyl-N-propan-2-ylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 86893523
2-methyl-1-[2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 46563920

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 55498991) is 1-[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3CC2C)CC1.
What is the InChIKey of 1-[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is NLBAAOWLTJFDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O5S2/c1-4-22(5-2)31(28,29)23-10-8-21(9-11-23)14-19(25)24-15(3)12-16-13-17(30(20,26)27)6-7-18(16)24/h6-7,13,15H,4-5,8-12,14H2,1-3H3,(H2,20,26,27).
What are the key properties of 1-[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
1-[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 473.62 g/mol, XLogP of -0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 55498991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).