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

C14H24N2O3S — CID 61447802

IUPAC4-(1-aminoethyl)-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1ccc(C(C)N)cc1
InChIInChI=1S/C14H24N2O3S/c1-3-4-9-16(10-11-17)20(18,19)14-7-5-13(6-8-14)12(2)15/h5-8,12,17H,3-4,9-11,15H2,1-2H3
InChIKeyZKJVTMIFGXGXPN-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.49
Rot. Bonds8

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

4-(1-aminoethyl)-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 61447802) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID61447802
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name4-(1-aminoethyl)-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1ccc(C(C)N)cc1
InChIInChI=1S/C14H24N2O3S/c1-3-4-9-16(10-11-17)20(18,19)14-7-5-13(6-8-14)12(2)15/h5-8,12,17H,3-4,9-11,15H2,1-2H3
InChIKeyZKJVTMIFGXGXPN-UHFFFAOYSA-N
XLogP1.49
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879790
N-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 61448379
4-(1-aminoethyl)-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107200603
N-butyl-4-(2-chloroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 60958697
N-butyl-N-(2-hydroxyethyl)-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 61447827
2-[[4-(1-aminoethyl)phenyl]sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62923333
3-amino-N-butyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111452
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 59350880
N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61448011
N-butyl-3-chloro-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61448131
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 106546170
4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 103833721

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-(1-aminoethyl)-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide (CID 61447802) is 4-(1-aminoethyl)-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-(1-aminoethyl)-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide is CCCCN(CCO)S(=O)(=O)c1ccc(C(C)N)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is ZKJVTMIFGXGXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-3-4-9-16(10-11-17)20(18,19)14-7-5-13(6-8-14)12(2)15/h5-8,12,17H,3-4,9-11,15H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide?
4-(1-aminoethyl)-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 61447802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).