N-ethyl-1-(6-ethylpyrimidin-4-yl)-2,3-dihydroindole-6-sulfonamide

C16H20N4O2S — CID 71996117

IUPACN-ethyl-1-(6-ethylpyrimidin-4-yl)-2,3-dihydroindole-6-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c(c1)N(c1cc(CC)ncn1)CC2
InChIInChI=1S/C16H20N4O2S/c1-3-13-9-16(18-11-17-13)20-8-7-12-5-6-14(10-15(12)20)23(21,22)19-4-2/h5-6,9-11,19H,3-4,7-8H2,1-2H3
InChIKeyMQDKUNONRJLYBF-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.03
Rot. Bonds5

About N-ethyl-1-(6-ethylpyrimidin-4-yl)-2,3-dihydroindole-6-sulfonamide

N-ethyl-1-(6-ethylpyrimidin-4-yl)-2,3-dihydroindole-6-sulfonamide (PubChem CID 71996117) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-ethyl-1-(6-ethylpyrimidin-4-yl)-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound NameN-ethyl-1-(6-ethylpyrimidin-4-yl)-2,3-dihydroindole-6-sulfonamide
PubChem CID71996117
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-ethyl-1-(6-ethylpyrimidin-4-yl)-2,3-dihydroindole-6-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c(c1)N(c1cc(CC)ncn1)CC2
InChIInChI=1S/C16H20N4O2S/c1-3-13-9-16(18-11-17-13)20-8-7-12-5-6-14(10-15(12)20)23(21,22)19-4-2/h5-6,9-11,19H,3-4,7-8H2,1-2H3
InChIKeyMQDKUNONRJLYBF-UHFFFAOYSA-N
XLogP2.03
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-chloropyrimidin-4-yl)-5-propylsulfonyl-2,3-dihydroindole
CID 87498028
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
2-[2-[6-(ethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethoxy]acetic acid
CID 146134632
1-[2,2-difluoro-2-(3-methyl-2-pyridinyl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide
CID 154754983
4-amino-N-ethyl-3-(5-oxo-1,4-diazepan-1-yl)benzenesulfonamide
CID 82902271
1-(6,7-dimethoxycinnolin-4-yl)-N-ethyl-2,3-dihydroindole-5-sulfonamide
CID 69186068
2-(6-ethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524429
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide
CID 119802333
tert-butyl 4-[[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methylamino]piperidine-1-carboxylate
CID 66894255
3-(2,3-dihydroindole-1-carbonyl)-N-ethyl-4-methoxybenzenesulfonamide
CID 19257849
4-amino-3-(4,5-dimethylimidazol-1-yl)-N-ethylbenzenesulfonamide
CID 82901454
N-ethyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine
CID 80847372

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(6-ethylpyrimidin-4-yl)-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of N-ethyl-1-(6-ethylpyrimidin-4-yl)-2,3-dihydroindole-6-sulfonamide (CID 71996117) is N-ethyl-1-(6-ethylpyrimidin-4-yl)-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for N-ethyl-1-(6-ethylpyrimidin-4-yl)-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for N-ethyl-1-(6-ethylpyrimidin-4-yl)-2,3-dihydroindole-6-sulfonamide is CCNS(=O)(=O)c1ccc2c(c1)N(c1cc(CC)ncn1)CC2.
What is the InChIKey of N-ethyl-1-(6-ethylpyrimidin-4-yl)-2,3-dihydroindole-6-sulfonamide?
The InChIKey is MQDKUNONRJLYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-3-13-9-16(18-11-17-13)20-8-7-12-5-6-14(10-15(12)20)23(21,22)19-4-2/h5-6,9-11,19H,3-4,7-8H2,1-2H3.
What are the key properties of N-ethyl-1-(6-ethylpyrimidin-4-yl)-2,3-dihydroindole-6-sulfonamide?
N-ethyl-1-(6-ethylpyrimidin-4-yl)-2,3-dihydroindole-6-sulfonamide has a molecular weight of 332.43 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(6-ethylpyrimidin-4-yl)-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 71996117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).