N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide

C12H19NO3S — CID 43507253

IUPACN,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(C)O)c1
InChIInChI=1S/C12H19NO3S/c1-4-13(5-2)17(15,16)12-8-6-7-11(9-12)10(3)14/h6-10,14H,4-5H2,1-3H3
InChIKeyJUYAALHHHRCGOV-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.77
Rot. Bonds5

About N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide

N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide (PubChem CID 43507253) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide
PubChem CID43507253
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(C)O)c1
InChIInChI=1S/C12H19NO3S/c1-4-13(5-2)17(15,16)12-8-6-7-11(9-12)10(3)14/h6-10,14H,4-5H2,1-3H3
InChIKeyJUYAALHHHRCGOV-UHFFFAOYSA-N
XLogP1.77
TPSA57.61 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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879696
N-ethyl-3-(1-hydroxyethyl)-N-pyridin-4-ylbenzenesulfonamide
CID 106936691
3-(1-hydroxyethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61455972
N,N-diethyl-3-[1-(ethylamino)propyl]benzenesulfonamide
CID 60873037
N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 54995323
N-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide
CID 46232296
3-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107399516
3-(1-aminopropyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79378974
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
3-(1-hydroxyethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528546
N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 61455432
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide (CID 43507253) is N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(C(C)O)c1.
What is the InChIKey of N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide?
The InChIKey is JUYAALHHHRCGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-4-13(5-2)17(15,16)12-8-6-7-11(9-12)10(3)14/h6-10,14H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide?
N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 43507253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).