(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide

C13H16N2O5S2 — CID 9185975

IUPAC(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESC[C@H]1C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc21
InChIInChI=1S/C13H16N2O5S2/c1-8-11-6-10(2-3-12(11)14-13(8)16)22(19,20)15-9-4-5-21(17,18)7-9/h2-3,6,8-9,15H,4-5,7H2,1H3,(H,14,16)/t8-,9+/m1/s1
InChIKeyOTLCDEGKVUMJMI-BDAKNGLRSA-N
MW344.41 g/mol
LogP0.21
Rot. Bonds3

About (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide

(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 9185975) has the molecular formula C13H16N2O5S2 and a molecular weight of 344.41 g/mol. Its IUPAC name is (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID9185975
Molecular FormulaC13H16N2O5S2
Molecular Weight344.41 g/mol
Exact Mass344.05
IUPAC Name(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESC[C@H]1C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc21
InChIInChI=1S/C13H16N2O5S2/c1-8-11-6-10(2-3-12(11)14-13(8)16)22(19,20)15-9-4-5-21(17,18)7-9/h2-3,6,8-9,15H,4-5,7H2,1H3,(H,14,16)/t8-,9+/m1/s1
InChIKeyOTLCDEGKVUMJMI-BDAKNGLRSA-N
XLogP0.21
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 9185975) is (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide is C[C@H]1C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc21.
What is the InChIKey of (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is OTLCDEGKVUMJMI-BDAKNGLRSA-N. The full InChI is InChI=1S/C13H16N2O5S2/c1-8-11-6-10(2-3-12(11)14-13(8)16)22(19,20)15-9-4-5-21(17,18)7-9/h2-3,6,8-9,15H,4-5,7H2,1H3,(H,14,16)/t8-,9+/m1/s1.
What are the key properties of (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 344.41 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 9185975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).