N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide

C12H19NO3S — CID 43258959

IUPACN-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C12H19NO3S/c1-5-13-17(14,15)11-6-7-12(10(4)8-11)16-9(2)3/h6-9,13H,5H2,1-4H3
InChIKeyPAMPJYAPENJPRE-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.08
Rot. Bonds5

About N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide

N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide (PubChem CID 43258959) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
PubChem CID43258959
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C12H19NO3S/c1-5-13-17(14,15)11-6-7-12(10(4)8-11)16-9(2)3/h6-9,13H,5H2,1-4H3
InChIKeyPAMPJYAPENJPRE-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 62664770
N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 119959966
N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 102697438
ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate
CID 60817410
N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 64911448
N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 115754460
3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
CID 60764228
N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 82294732
3-methyl-N-[(E)-pent-3-enyl]-4-propan-2-yloxybenzenesulfonamide
CID 113236594
2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]butanoic acid
CID 43470047
N-(cyanomethyl)-2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 138997268
2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid
CID 43362323

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide (CID 43258959) is N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide is CCNS(=O)(=O)c1ccc(OC(C)C)c(C)c1.
What is the InChIKey of N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is PAMPJYAPENJPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-5-13-17(14,15)11-6-7-12(10(4)8-11)16-9(2)3/h6-9,13H,5H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide?
N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 43258959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).