N-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide

C12H19NO3S — CID 110776836

IUPACN-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(C)c(C)cc1OC
InChIInChI=1S/C12H19NO3S/c1-5-6-17(14,15)13-11-7-9(2)10(3)8-12(11)16-4/h7-8,13H,5-6H2,1-4H3
InChIKeyOMOLDKKSGUURPS-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.46
Rot. Bonds5

About N-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide

N-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide (PubChem CID 110776836) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide
PubChem CID110776836
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(C)c(C)cc1OC
InChIInChI=1S/C12H19NO3S/c1-5-6-17(14,15)13-11-7-9(2)10(3)8-12(11)16-4/h7-8,13H,5-6H2,1-4H3
InChIKeyOMOLDKKSGUURPS-UHFFFAOYSA-N
XLogP2.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethoxyphenyl)propane-1-sulfonamide
CID 60640726
N-[4-(4-chloro-2-methoxy-5-methylanilino)phenyl]propane-1-sulfonamide
CID 112989746
4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)butane-1-sulfonamide
CID 106056915
N-(2-methoxy-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106059710
3-(butylsulfonylamino)-4-methoxybenzenesulfonyl chloride
CID 43322394
N-(2,5-dimethoxy-4-methylphenyl)-1-(3-methylphenyl)methanesulfonamide
CID 110777825
N-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide
CID 110776887
3-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpropane-1-sulfonamide
CID 79583591
N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide
CID 107623369
N-(4-methyl-2-propoxyphenyl)propane-1-sulfonamide
CID 61063068
N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide
CID 43604998
N-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide
CID 55173913

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide?
The IUPAC name of N-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide (CID 110776836) is N-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(C)c(C)cc1OC.
What is the InChIKey of N-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide?
The InChIKey is OMOLDKKSGUURPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-5-6-17(14,15)13-11-7-9(2)10(3)8-12(11)16-4/h7-8,13H,5-6H2,1-4H3.
What are the key properties of N-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide?
N-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide has a molecular weight of 257.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 110776836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).