2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide

C12H19NO4S — CID 102697579

IUPAC2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCC(C)OC
InChIInChI=1S/C12H19NO4S/c1-9-5-6-11(17-4)12(7-9)18(14,15)13-8-10(2)16-3/h5-7,10,13H,8H2,1-4H3
InChIKeyPLQFXTNHBGIABB-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.32
Rot. Bonds6

About 2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide

2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide (PubChem CID 102697579) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide
PubChem CID102697579
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Name2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCC(C)OC
InChIInChI=1S/C12H19NO4S/c1-9-5-6-11(17-4)12(7-9)18(14,15)13-8-10(2)16-3/h5-7,10,13H,8H2,1-4H3
InChIKeyPLQFXTNHBGIABB-UHFFFAOYSA-N
XLogP1.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
CID 102697677
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
N-(3-aminobutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 55169894
N-(3-hydroxybutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 64913326
5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
CID 102694373
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide
CID 8801649
2-methoxy-N-(1-methoxypropan-2-yl)-5-methylbenzenesulfonamide
CID 6461003
2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide
CID 8777904
2-methoxy-N-[(4-methoxy-3-methylphenyl)methyl]-5-methylbenzenesulfonamide
CID 110779814
N-but-3-ynyl-2-methoxy-5-methylbenzenesulfonamide
CID 90537993
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ium-1-ylethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 7498027
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43845640

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide?
The IUPAC name of 2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide (CID 102697579) is 2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCC(C)OC.
What is the InChIKey of 2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide?
The InChIKey is PLQFXTNHBGIABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-9-5-6-11(17-4)12(7-9)18(14,15)13-8-10(2)16-3/h5-7,10,13H,8H2,1-4H3.
What are the key properties of 2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide?
2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide has a molecular weight of 273.35 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 102697579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).