1-acetyl-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-6-sulfonamide

C16H18N4O3S — CID 122141660

IUPAC1-acetyl-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-6-sulfonamide
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc21
InChIInChI=1S/C16H18N4O3S/c1-10-8-11(2)18-16(17-10)19-24(22,23)14-5-4-13-6-7-20(12(3)21)15(13)9-14/h4-5,8-9H,6-7H2,1-3H3,(H,17,18,19)
InChIKeyHDPJMCOBOCSBIA-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.80
Rot. Bonds3

About 1-acetyl-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-6-sulfonamide

1-acetyl-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-6-sulfonamide (PubChem CID 122141660) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-acetyl-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-6-sulfonamide
PubChem CID122141660
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name1-acetyl-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-6-sulfonamide
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc21
InChIInChI=1S/C16H18N4O3S/c1-10-8-11(2)18-16(17-10)19-24(22,23)14-5-4-13-6-7-20(12(3)21)15(13)9-14/h4-5,8-9H,6-7H2,1-3H3,(H,17,18,19)
InChIKeyHDPJMCOBOCSBIA-UHFFFAOYSA-N
XLogP1.80
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide
CID 2940704
1-acetyl-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-6-sulfonamide
CID 82725077
methyl N-[4-[(1-acetyl-2,3-dihydroindol-6-yl)sulfamoyl]phenyl]carbamate
CID 91624470
1-acetyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-6-sulfonamide
CID 126776307
1-acetyl-N-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119972947
1-acetyl-N-(2-amino-1-cyclopentylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 120584869
1-acetyl-N-piperidin-3-yl-2,3-dihydroindole-6-sulfonamide
CID 119964529
1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride
CID 119966651
1-acetyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119964737
1-acetyl-N-(5-cyano-1H-pyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 126833470
1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119967228
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-acetyl-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-6-sulfonamide (CID 122141660) is 1-acetyl-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-6-sulfonamide is CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc21.
What is the InChIKey of 1-acetyl-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-6-sulfonamide?
The InChIKey is HDPJMCOBOCSBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-10-8-11(2)18-16(17-10)19-24(22,23)14-5-4-13-6-7-20(12(3)21)15(13)9-14/h4-5,8-9H,6-7H2,1-3H3,(H,17,18,19).
What are the key properties of 1-acetyl-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-6-sulfonamide?
1-acetyl-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-6-sulfonamide has a molecular weight of 346.41 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 122141660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).