N-ethyl-N-(2-hydroxyethyl)-4-(methylamino)benzenesulfonamide

C11H18N2O3S — CID 60979848

IUPACN-ethyl-N-(2-hydroxyethyl)-4-(methylamino)benzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1ccc(NC)cc1
InChIInChI=1S/C11H18N2O3S/c1-3-13(8-9-14)17(15,16)11-6-4-10(12-2)5-7-11/h4-7,12,14H,3,8-9H2,1-2H3
InChIKeyMYLVOBBDTGLDRR-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.73
Rot. Bonds6

About N-ethyl-N-(2-hydroxyethyl)-4-(methylamino)benzenesulfonamide

N-ethyl-N-(2-hydroxyethyl)-4-(methylamino)benzenesulfonamide (PubChem CID 60979848) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-4-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-4-(methylamino)benzenesulfonamide
PubChem CID60979848
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-4-(methylamino)benzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1ccc(NC)cc1
InChIInChI=1S/C11H18N2O3S/c1-3-13(8-9-14)17(15,16)11-6-4-10(12-2)5-7-11/h4-7,12,14H,3,8-9H2,1-2H3
InChIKeyMYLVOBBDTGLDRR-UHFFFAOYSA-N
XLogP0.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide
CID 102994804
N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]phenyl]acetamide
CID 39387601
4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879790
4-(methylamino)-N,N-bis(3-methylbutyl)benzenesulfonamide
CID 90764281
N-[4-[butyl(ethyl)sulfamoyl]phenyl]acetamide
CID 2164655
N-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879245
N-ethyl-N-[2-[2-[2-[2-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethoxy]ethyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 100986628
N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437377
4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 113431290
N-ethyl-4-hydroxy-N-propylbenzenesulfonamide
CID 43269048
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 59350880
1-(diethylsulfamoylamino)-4-(methylamino)benzene
CID 43604119

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-4-(methylamino)benzenesulfonamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-4-(methylamino)benzenesulfonamide (CID 60979848) is N-ethyl-N-(2-hydroxyethyl)-4-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-4-(methylamino)benzenesulfonamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-4-(methylamino)benzenesulfonamide is CCN(CCO)S(=O)(=O)c1ccc(NC)cc1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-4-(methylamino)benzenesulfonamide?
The InChIKey is MYLVOBBDTGLDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-3-13(8-9-14)17(15,16)11-6-4-10(12-2)5-7-11/h4-7,12,14H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-4-(methylamino)benzenesulfonamide?
N-ethyl-N-(2-hydroxyethyl)-4-(methylamino)benzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-4-(methylamino)benzenesulfonamide is sourced from PubChem (CID 60979848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).