N-cyclopropyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide

C15H22N2O5S — CID 46043916

IUPACN-cyclopropyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide
SMILESCOc1cccc(C2C(S(=O)(=O)NC3CC3)CON2C)c1OC
InChIInChI=1S/C15H22N2O5S/c1-17-14(11-5-4-6-12(20-2)15(11)21-3)13(9-22-17)23(18,19)16-10-7-8-10/h4-6,10,13-14,16H,7-9H2,1-3H3
InChIKeyNJGUVTBVOORAHZ-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.07
Rot. Bonds6

About N-cyclopropyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide

N-cyclopropyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide (PubChem CID 46043916) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-cyclopropyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide
PubChem CID46043916
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-cyclopropyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide
SMILESCOc1cccc(C2C(S(=O)(=O)NC3CC3)CON2C)c1OC
InChIInChI=1S/C15H22N2O5S/c1-17-14(11-5-4-6-12(20-2)15(11)21-3)13(9-22-17)23(18,19)16-10-7-8-10/h4-6,10,13-14,16H,7-9H2,1-3H3
InChIKeyNJGUVTBVOORAHZ-UHFFFAOYSA-N
XLogP1.07
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of N-cyclopropyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide (CID 46043916) is N-cyclopropyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for N-cyclopropyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for N-cyclopropyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide is COc1cccc(C2C(S(=O)(=O)NC3CC3)CON2C)c1OC.
What is the InChIKey of N-cyclopropyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide?
The InChIKey is NJGUVTBVOORAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-17-14(11-5-4-6-12(20-2)15(11)21-3)13(9-22-17)23(18,19)16-10-7-8-10/h4-6,10,13-14,16H,7-9H2,1-3H3.
What are the key properties of N-cyclopropyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide?
N-cyclopropyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide has a molecular weight of 342.42 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2,3-dimethoxyphenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 46043916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).