N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide

C15H17N3O4S — CID 110870137

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCc1noc(C)c1CN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H17N3O4S/c1-9-13(10(2)22-17-9)8-18(3)23(20,21)12-4-5-14-11(6-12)7-15(19)16-14/h4-6H,7-8H2,1-3H3,(H,16,19)
InChIKeyAGDSEEVJXIEPIK-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.61
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 110870137) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID110870137
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCc1noc(C)c1CN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H17N3O4S/c1-9-13(10(2)22-17-9)8-18(3)23(20,21)12-4-5-14-11(6-12)7-15(19)16-14/h4-6H,7-8H2,1-3H3,(H,16,19)
InChIKeyAGDSEEVJXIEPIK-UHFFFAOYSA-N
XLogP1.61
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 110870137) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide is Cc1noc(C)c1CN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is AGDSEEVJXIEPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-9-13(10(2)22-17-9)8-18(3)23(20,21)12-4-5-14-11(6-12)7-15(19)16-14/h4-6H,7-8H2,1-3H3,(H,16,19).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 335.39 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 110870137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).