(3S)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

C18H20N2O3S — CID 9187654

IUPAC(3S)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCc1ccccc1CN(C)S(=O)(=O)c1ccc2c(c1)[C@H](C)C(=O)N2
InChIInChI=1S/C18H20N2O3S/c1-12-6-4-5-7-14(12)11-20(3)24(22,23)15-8-9-17-16(10-15)13(2)18(21)19-17/h4-10,13H,11H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyYLBJVDKWAJMBSV-ZDUSSCGKSA-N
MW344.44 g/mol
LogP2.87
Rot. Bonds4

About (3S)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

(3S)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 9187654) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is (3S)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(3S)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID9187654
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name(3S)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCc1ccccc1CN(C)S(=O)(=O)c1ccc2c(c1)[C@H](C)C(=O)N2
InChIInChI=1S/C18H20N2O3S/c1-12-6-4-5-7-14(12)11-20(3)24(22,23)15-8-9-17-16(10-15)13(2)18(21)19-17/h4-10,13H,11H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyYLBJVDKWAJMBSV-ZDUSSCGKSA-N
XLogP2.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of (3S)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 9187654) is (3S)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (3S)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (3S)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is Cc1ccccc1CN(C)S(=O)(=O)c1ccc2c(c1)[C@H](C)C(=O)N2.
What is the InChIKey of (3S)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is YLBJVDKWAJMBSV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12-6-4-5-7-14(12)11-20(3)24(22,23)15-8-9-17-16(10-15)13(2)18(21)19-17/h4-10,13H,11H2,1-3H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (3S)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
(3S)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 9187654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).