N-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide

C16H25N3O3S — CID 112502246

IUPACN-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCCN(CC)C(C)CNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C16H25N3O3S/c1-5-19(6-2)12(3)11-17-23(21,22)14-7-8-15-13(9-14)10-16(20)18(15)4/h7-9,12,17H,5-6,10-11H2,1-4H3
InChIKeyLLTVVUPQFHGRLK-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.21
Rot. Bonds7

About N-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide

N-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide (PubChem CID 112502246) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
PubChem CID112502246
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCCN(CC)C(C)CNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C16H25N3O3S/c1-5-19(6-2)12(3)11-17-23(21,22)14-7-8-15-13(9-14)10-16(20)18(15)4/h7-9,12,17H,5-6,10-11H2,1-4H3
InChIKeyLLTVVUPQFHGRLK-UHFFFAOYSA-N
XLogP1.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 62664588
1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide
CID 110403585
1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide
CID 110672112
N-[(4-ethylphenyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110779553
1-methyl-N-(4-methyl-2-piperidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide
CID 110403443
N-[(1-ethylcyclopropyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 126815166
N-[6-(diethylamino)pyridazin-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113044066
1-methyl-2-oxo-N-(2-pyrrol-1-ylethyl)-3H-indole-5-sulfonamide
CID 110716372
1-methyl-N-[4-(3-methylbutylamino)phenyl]-2-oxo-3H-indole-5-sulfonamide
CID 112985170
1-methyl-2-oxo-N-(1-phenylethyl)-3H-indole-5-sulfonamide
CID 3163725
1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide
CID 110756701
N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]-N-pentylacetamide
CID 113057038

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of N-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide (CID 112502246) is N-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for N-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for N-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide is CCN(CC)C(C)CNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of N-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is LLTVVUPQFHGRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-5-19(6-2)12(3)11-17-23(21,22)14-7-8-15-13(9-14)10-16(20)18(15)4/h7-9,12,17H,5-6,10-11H2,1-4H3.
What are the key properties of N-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
N-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 339.46 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 112502246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).