N,N-dimethyl-1-(2-oxo-1H-quinoline-4-carbonyl)-2,3-dihydroindole-5-sulfonamide

C20H19N3O4S — CID 26769678

IUPACN,N-dimethyl-1-(2-oxo-1H-quinoline-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C20H19N3O4S/c1-22(2)28(26,27)14-7-8-18-13(11-14)9-10-23(18)20(25)16-12-19(24)21-17-6-4-3-5-15(16)17/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)
InChIKeyWEPGDLRFHJIRGN-UHFFFAOYSA-N
MW397.46 g/mol
LogP1.98
Rot. Bonds3

About N,N-dimethyl-1-(2-oxo-1H-quinoline-4-carbonyl)-2,3-dihydroindole-5-sulfonamide

N,N-dimethyl-1-(2-oxo-1H-quinoline-4-carbonyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 26769678) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-oxo-1H-quinoline-4-carbonyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-oxo-1H-quinoline-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID26769678
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN,N-dimethyl-1-(2-oxo-1H-quinoline-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C20H19N3O4S/c1-22(2)28(26,27)14-7-8-18-13(11-14)9-10-23(18)20(25)16-12-19(24)21-17-6-4-3-5-15(16)17/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)
InChIKeyWEPGDLRFHJIRGN-UHFFFAOYSA-N
XLogP1.98
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-oxo-1H-quinoline-4-carbonyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N,N-dimethyl-1-(2-oxo-1H-quinoline-4-carbonyl)-2,3-dihydroindole-5-sulfonamide (CID 26769678) is N,N-dimethyl-1-(2-oxo-1H-quinoline-4-carbonyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-(2-oxo-1H-quinoline-4-carbonyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-(2-oxo-1H-quinoline-4-carbonyl)-2,3-dihydroindole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N,N-dimethyl-1-(2-oxo-1H-quinoline-4-carbonyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is WEPGDLRFHJIRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-22(2)28(26,27)14-7-8-18-13(11-14)9-10-23(18)20(25)16-12-19(24)21-17-6-4-3-5-15(16)17/h3-8,11-12H,9-10H2,1-2H3,(H,21,24).
What are the key properties of N,N-dimethyl-1-(2-oxo-1H-quinoline-4-carbonyl)-2,3-dihydroindole-5-sulfonamide?
N,N-dimethyl-1-(2-oxo-1H-quinoline-4-carbonyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 397.46 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-oxo-1H-quinoline-4-carbonyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 26769678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).