N-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide

C12H19NO4S — CID 54879696

IUPACN-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1cccc(C(C)O)c1
InChIInChI=1S/C12H19NO4S/c1-3-13(7-8-14)18(16,17)12-6-4-5-11(9-12)10(2)15/h4-6,9-10,14-15H,3,7-8H2,1-2H3
InChIKeyQVXBHIOHFDSVKS-UHFFFAOYSA-N
MW273.35 g/mol
LogP0.74
Rot. Bonds6

About N-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide

N-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 54879696) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is N-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID54879696
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC NameN-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1cccc(C(C)O)c1
InChIInChI=1S/C12H19NO4S/c1-3-13(7-8-14)18(16,17)12-6-4-5-11(9-12)10(2)15/h4-6,9-10,14-15H,3,7-8H2,1-2H3
InChIKeyQVXBHIOHFDSVKS-UHFFFAOYSA-N
XLogP0.74
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507253
N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 54995323
N-benzyl-N-(2-hydroxyethyl)-3-(1-hydroxypropyl)benzenesulfonamide
CID 113228610
N-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide
CID 46232296
N-ethyl-3-(1-hydroxyethyl)-N-pyridin-4-ylbenzenesulfonamide
CID 106936691
3-(1-hydroxyethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61455972
4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879790
N-ethyl-3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 60981199
N-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879245
N,N-diethyl-3-[1-(ethylamino)propyl]benzenesulfonamide
CID 60873037
3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 3835270
N-(2-hydroxyethyl)-3-propanoyl-N-propylbenzenesulfonamide
CID 61252203

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide (CID 54879696) is N-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide is CCN(CCO)S(=O)(=O)c1cccc(C(C)O)c1.
What is the InChIKey of N-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is QVXBHIOHFDSVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-3-13(7-8-14)18(16,17)12-6-4-5-11(9-12)10(2)15/h4-6,9-10,14-15H,3,7-8H2,1-2H3.
What are the key properties of N-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
N-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 273.35 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 54879696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).