1-acetyl-N-[5-(diethylamino)-2-pyridinyl]-2,3-dihydroindole-5-sulfonamide

C19H24N4O3S — CID 113029784

IUPAC1-acetyl-N-[5-(diethylamino)-2-pyridinyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)nc1
InChIInChI=1S/C19H24N4O3S/c1-4-22(5-2)16-6-9-19(20-13-16)21-27(25,26)17-7-8-18-15(12-17)10-11-23(18)14(3)24/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,20,21)
InChIKeyFOJJBTYEZZTOPS-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.64
Rot. Bonds6

About 1-acetyl-N-[5-(diethylamino)-2-pyridinyl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[5-(diethylamino)-2-pyridinyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 113029784) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-acetyl-N-[5-(diethylamino)-2-pyridinyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[5-(diethylamino)-2-pyridinyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID113029784
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name1-acetyl-N-[5-(diethylamino)-2-pyridinyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)nc1
InChIInChI=1S/C19H24N4O3S/c1-4-22(5-2)16-6-9-19(20-13-16)21-27(25,26)17-7-8-18-15(12-17)10-11-23(18)14(3)24/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,20,21)
InChIKeyFOJJBTYEZZTOPS-UHFFFAOYSA-N
XLogP2.64
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 113038294
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]acetamide
CID 40687880
1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 24509967
1-acetyl-N-[tert-butyl(dimethyl)silyl]-2,3-dihydroindole-5-sulfonamide
CID 166596719
1-acetyl-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2,3-dihydroindole-5-sulfonamide
CID 24580955
1-acetyl-N-[1-(hydroxymethyl)cyclopropyl]-2,3-dihydroindole-5-sulfonamide
CID 115902948
1-acetyl-N-pyrimidin-5-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 154861806
4-tert-butyl-N-[5-(diethylamino)-2-pyridinyl]benzenesulfonamide
CID 113029789
1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 117031946
1-acetyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113038296

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[5-(diethylamino)-2-pyridinyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[5-(diethylamino)-2-pyridinyl]-2,3-dihydroindole-5-sulfonamide (CID 113029784) is 1-acetyl-N-[5-(diethylamino)-2-pyridinyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[5-(diethylamino)-2-pyridinyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[5-(diethylamino)-2-pyridinyl]-2,3-dihydroindole-5-sulfonamide is CCN(CC)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)nc1.
What is the InChIKey of 1-acetyl-N-[5-(diethylamino)-2-pyridinyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is FOJJBTYEZZTOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-4-22(5-2)16-6-9-19(20-13-16)21-27(25,26)17-7-8-18-15(12-17)10-11-23(18)14(3)24/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,20,21).
What are the key properties of 1-acetyl-N-[5-(diethylamino)-2-pyridinyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[5-(diethylamino)-2-pyridinyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[5-(diethylamino)-2-pyridinyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 113029784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).