N-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide

C12H20N2O3S — CID 119982843

IUPACN-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)C(C)CN)cc1
InChIInChI=1S/C12H20N2O3S/c1-4-17-11-5-7-12(8-6-11)18(15,16)14(3)10(2)9-13/h5-8,10H,4,9,13H2,1-3H3
InChIKeyZLZQELNBHFFSFZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.05
Rot. Bonds6

About N-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide

N-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide (PubChem CID 119982843) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide
PubChem CID119982843
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)C(C)CN)cc1
InChIInChI=1S/C12H20N2O3S/c1-4-17-11-5-7-12(8-6-11)18(15,16)14(3)10(2)9-13/h5-8,10H,4,9,13H2,1-3H3
InChIKeyZLZQELNBHFFSFZ-UHFFFAOYSA-N
XLogP1.05
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride
CID 119982419
methyl 4-[1-aminopropan-2-yl(methyl)sulfamoyl]benzoate
CID 119982539
N-methyl-4-propoxy-N-[(2R)-1-sulfanylpropan-2-yl]benzenesulfonamide
CID 59983813
N-methyl-4-propoxy-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
CID 22711658
4-(3-chloropropoxy)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988224
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-4-ethoxy-N-methylbenzenesulfonamide
CID 8802002
4-N-(1-aminopropan-2-yl)-1-N-cyclopropyl-4-N-methylbenzene-1,4-disulfonamide
CID 119982801
N-[1-(4-ethoxyphenyl)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55490961
N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]phenyl]propanamide;hydrochloride
CID 119982559
3-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]phenoxy]propanoic acid
CID 104551520
N-(1-aminopropan-2-yl)-4-cyclohexyl-N-methylbenzenesulfonamide;hydrochloride
CID 119982347
N-(1-aminopropan-2-yl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119982967

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide (CID 119982843) is N-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)N(C)C(C)CN)cc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide?
The InChIKey is ZLZQELNBHFFSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-17-11-5-7-12(8-6-11)18(15,16)14(3)10(2)9-13/h5-8,10H,4,9,13H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide?
N-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 119982843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).