1-acetyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-6-sulfonamide

C21H23N3O3S — CID 126776307

IUPAC1-acetyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-6-sulfonamide
SMILESCCCn1ccc2cc(NS(=O)(=O)c3ccc4c(c3)N(C(C)=O)CC4)ccc21
InChIInChI=1S/C21H23N3O3S/c1-3-10-23-11-8-17-13-18(5-7-20(17)23)22-28(26,27)19-6-4-16-9-12-24(15(2)25)21(16)14-19/h4-8,11,13-14,22H,3,9-10,12H2,1-2H3
InChIKeyMGOBKDZSADSPQW-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.76
Rot. Bonds5

About 1-acetyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-6-sulfonamide

1-acetyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-6-sulfonamide (PubChem CID 126776307) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 1-acetyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-6-sulfonamide
PubChem CID126776307
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name1-acetyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-6-sulfonamide
SMILESCCCn1ccc2cc(NS(=O)(=O)c3ccc4c(c3)N(C(C)=O)CC4)ccc21
InChIInChI=1S/C21H23N3O3S/c1-3-10-23-11-8-17-13-18(5-7-20(17)23)22-28(26,27)19-6-4-16-9-12-24(15(2)25)21(16)14-19/h4-8,11,13-14,22H,3,9-10,12H2,1-2H3
InChIKeyMGOBKDZSADSPQW-UHFFFAOYSA-N
XLogP3.76
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-6-sulfonamide
CID 122141660
methyl N-[4-[(1-acetyl-2,3-dihydroindol-6-yl)sulfamoyl]phenyl]carbamate
CID 91624470
1-[6-(propylsulfamoylamino)-2,3-dihydroindol-1-yl]ethanone
CID 110627257
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110288193
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-propoxybenzenesulfonamide
CID 42388579
1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide
CID 2940704
1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 24509967
N-[1-[2-(diethylamino)ethyl]indol-5-yl]naphthalene-2-sulfonamide
CID 11270131
1-acetyl-N-(1-aminohexan-2-yl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119993308
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzenesulfonamide
CID 7517556
4-bromo-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]benzenesulfonamide
CID 11676162
1-acetyl-N-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119972947

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-acetyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-6-sulfonamide (CID 126776307) is 1-acetyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-6-sulfonamide is CCCn1ccc2cc(NS(=O)(=O)c3ccc4c(c3)N(C(C)=O)CC4)ccc21.
What is the InChIKey of 1-acetyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-6-sulfonamide?
The InChIKey is MGOBKDZSADSPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-3-10-23-11-8-17-13-18(5-7-20(17)23)22-28(26,27)19-6-4-16-9-12-24(15(2)25)21(16)14-19/h4-8,11,13-14,22H,3,9-10,12H2,1-2H3.
What are the key properties of 1-acetyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-6-sulfonamide?
1-acetyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-6-sulfonamide has a molecular weight of 397.50 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 126776307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).