N-(1-amino-2-methylpropan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide

C12H16ClN3O3S — CID 63194322

IUPACN-(1-amino-2-methylpropan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC(C)(CN)NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C12H16ClN3O3S/c1-12(2,6-14)16-20(18,19)10-3-7-4-11(17)15-9(7)5-8(10)13/h3,5,16H,4,6,14H2,1-2H3,(H,15,17)
InChIKeyVTVAUKHUQJSQRH-UHFFFAOYSA-N
MW317.80 g/mol
LogP0.85
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide

N-(1-amino-2-methylpropan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 63194322) has the molecular formula C12H16ClN3O3S and a molecular weight of 317.80 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID63194322
Molecular FormulaC12H16ClN3O3S
Molecular Weight317.80 g/mol
Exact Mass317.06
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC(C)(CN)NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C12H16ClN3O3S/c1-12(2,6-14)16-20(18,19)10-3-7-4-11(17)15-9(7)5-8(10)13/h3,5,16H,4,6,14H2,1-2H3,(H,15,17)
InChIKeyVTVAUKHUQJSQRH-UHFFFAOYSA-N
XLogP0.85
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 63194322) is N-(1-amino-2-methylpropan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide is CC(C)(CN)NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is VTVAUKHUQJSQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3S/c1-12(2,6-14)16-20(18,19)10-3-7-4-11(17)15-9(7)5-8(10)13/h3,5,16H,4,6,14H2,1-2H3,(H,15,17).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-(1-amino-2-methylpropan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 317.80 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 63194322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).