N-benzyl-N,1,3,3-tetramethyl-2-oxoindole-5-sulfonamide

C19H22N2O3S — CID 22518758

IUPACN-benzyl-N,1,3,3-tetramethyl-2-oxoindole-5-sulfonamide
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc21
InChIInChI=1S/C19H22N2O3S/c1-19(2)16-12-15(10-11-17(16)21(4)18(19)22)25(23,24)20(3)13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3
InChIKeyNTQAPFUYOPTMER-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.76
Rot. Bonds4

About N-benzyl-N,1,3,3-tetramethyl-2-oxoindole-5-sulfonamide

N-benzyl-N,1,3,3-tetramethyl-2-oxoindole-5-sulfonamide (PubChem CID 22518758) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-benzyl-N,1,3,3-tetramethyl-2-oxoindole-5-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N,1,3,3-tetramethyl-2-oxoindole-5-sulfonamide
PubChem CID22518758
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-benzyl-N,1,3,3-tetramethyl-2-oxoindole-5-sulfonamide
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc21
InChIInChI=1S/C19H22N2O3S/c1-19(2)16-12-15(10-11-17(16)21(4)18(19)22)25(23,24)20(3)13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3
InChIKeyNTQAPFUYOPTMER-UHFFFAOYSA-N
XLogP2.76
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,1,3,3-tetramethyl-2-oxoindole-5-sulfonamide?
The IUPAC name of N-benzyl-N,1,3,3-tetramethyl-2-oxoindole-5-sulfonamide (CID 22518758) is N-benzyl-N,1,3,3-tetramethyl-2-oxoindole-5-sulfonamide.
What is the SMILES notation for N-benzyl-N,1,3,3-tetramethyl-2-oxoindole-5-sulfonamide?
The canonical SMILES for N-benzyl-N,1,3,3-tetramethyl-2-oxoindole-5-sulfonamide is CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc21.
What is the InChIKey of N-benzyl-N,1,3,3-tetramethyl-2-oxoindole-5-sulfonamide?
The InChIKey is NTQAPFUYOPTMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-19(2)16-12-15(10-11-17(16)21(4)18(19)22)25(23,24)20(3)13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3.
What are the key properties of N-benzyl-N,1,3,3-tetramethyl-2-oxoindole-5-sulfonamide?
N-benzyl-N,1,3,3-tetramethyl-2-oxoindole-5-sulfonamide has a molecular weight of 358.46 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,1,3,3-tetramethyl-2-oxoindole-5-sulfonamide is sourced from PubChem (CID 22518758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).