4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide

C12H20N2O3S — CID 54879790

IUPAC4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1ccc(C(C)N)cc1
InChIInChI=1S/C12H20N2O3S/c1-3-14(8-9-15)18(16,17)12-6-4-11(5-7-12)10(2)13/h4-7,10,15H,3,8-9,13H2,1-2H3
InChIKeyFDOKUPCVSZCTDX-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.71
Rot. Bonds6

About 4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide

4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 54879790) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID54879790
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1ccc(C(C)N)cc1
InChIInChI=1S/C12H20N2O3S/c1-3-14(8-9-15)18(16,17)12-6-4-11(5-7-12)10(2)13/h4-7,10,15H,3,8-9,13H2,1-2H3
InChIKeyFDOKUPCVSZCTDX-UHFFFAOYSA-N
XLogP0.71
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminoethyl)-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61447802
N-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 61448379
2-[[4-(1-aminoethyl)phenyl]sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62923333
4-(1-aminoethyl)-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107200603
N-ethyl-N-(2-hydroxyethyl)-4-(methylamino)benzenesulfonamide
CID 60979848
2-amino-2-[4-(diethylsulfamoyl)phenyl]acetic acid
CID 5179933
N,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide
CID 111750198
4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 113431290
N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]phenyl]acetamide
CID 39387601
N-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879696
N,N-diethyl-4-[(1R)-1-[[(2R)-5-hydroxypentan-2-yl]amino]ethyl]benzenesulfonamide
CID 97233261
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide (CID 54879790) is 4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide is CCN(CCO)S(=O)(=O)c1ccc(C(C)N)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is FDOKUPCVSZCTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-3-14(8-9-15)18(16,17)12-6-4-11(5-7-12)10(2)13/h4-7,10,15H,3,8-9,13H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 54879790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).