N,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide

C14H24N2O3S — CID 111750198

IUPACN,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NCCO)cc1
InChIInChI=1S/C14H24N2O3S/c1-4-16(5-2)20(18,19)14-8-6-13(7-9-14)12(3)15-10-11-17/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyTZMAMQXTQWAGCX-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.36
Rot. Bonds8

About N,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide

N,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide (PubChem CID 111750198) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide
PubChem CID111750198
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NCCO)cc1
InChIInChI=1S/C14H24N2O3S/c1-4-16(5-2)20(18,19)14-8-6-13(7-9-14)12(3)15-10-11-17/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyTZMAMQXTQWAGCX-UHFFFAOYSA-N
XLogP1.36
TPSA69.64 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 ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-[(1R)-1-[[(2R)-5-hydroxypentan-2-yl]amino]ethyl]benzenesulfonamide
CID 97233261
N,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide
CID 8649700
N,N-diethyl-4-[1-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide
CID 42937239
4-[(1S)-1-[[2-(azepan-1-yl)-2-oxoethyl]amino]ethyl]-N,N-diethylbenzenesulfonamide
CID 8643973
2-[ethyl-[4-[1-(ethylamino)ethyl]phenyl]sulfonylamino]acetamide
CID 103102881
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylacetamide
CID 8650299
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119269825
2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 9394014
2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-phenylacetamide
CID 8643844
4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879790
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide
CID 31540675

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide (CID 111750198) is N,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C(C)NCCO)cc1.
What is the InChIKey of N,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide?
The InChIKey is TZMAMQXTQWAGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-16(5-2)20(18,19)14-8-6-13(7-9-14)12(3)15-10-11-17/h6-9,12,15,17H,4-5,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide?
N,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 111750198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).