(2R)-N-tert-butyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide

C13H20N2O2S — CID 28660363

IUPAC(2R)-N-tert-butyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide
SMILESC[C@@H]1Cc2cc(S(=O)(=O)NC(C)(C)C)ccc2N1
InChIInChI=1S/C13H20N2O2S/c1-9-7-10-8-11(5-6-12(10)14-9)18(16,17)15-13(2,3)4/h5-6,8-9,14-15H,7H2,1-4H3/t9-/m1/s1
InChIKeyFQGODOCFSNQSLS-SECBINFHSA-N
MW268.38 g/mol
LogP2.12
Rot. Bonds2

About (2R)-N-tert-butyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide

(2R)-N-tert-butyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide (PubChem CID 28660363) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide
PubChem CID28660363
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name(2R)-N-tert-butyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide
SMILESC[C@@H]1Cc2cc(S(=O)(=O)NC(C)(C)C)ccc2N1
InChIInChI=1S/C13H20N2O2S/c1-9-7-10-8-11(5-6-12(10)14-9)18(16,17)15-13(2,3)4/h5-6,8-9,14-15H,7H2,1-4H3/t9-/m1/s1
InChIKeyFQGODOCFSNQSLS-SECBINFHSA-N
XLogP2.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide?
The IUPAC name of (2R)-N-tert-butyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide (CID 28660363) is (2R)-N-tert-butyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide?
The canonical SMILES for (2R)-N-tert-butyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide is C[C@@H]1Cc2cc(S(=O)(=O)NC(C)(C)C)ccc2N1.
What is the InChIKey of (2R)-N-tert-butyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide?
The InChIKey is FQGODOCFSNQSLS-SECBINFHSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-7-10-8-11(5-6-12(10)14-9)18(16,17)15-13(2,3)4/h5-6,8-9,14-15H,7H2,1-4H3/t9-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide?
(2R)-N-tert-butyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide is sourced from PubChem (CID 28660363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).