N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide

C11H18N2O3S — CID 43500232

IUPACN-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCC(C)O
InChIInChI=1S/C11H18N2O3S/c1-3-13-17(15,16)11-7-5-4-6-10(11)12-8-9(2)14/h4-7,9,12-14H,3,8H2,1-2H3
InChIKeyJFSCGURGNSJUSR-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.78
Rot. Bonds6

About N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide

N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide (PubChem CID 43500232) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide
PubChem CID43500232
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCC(C)O
InChIInChI=1S/C11H18N2O3S/c1-3-13-17(15,16)11-7-5-4-6-10(11)12-8-9(2)14/h4-7,9,12-14H,3,8H2,1-2H3
InChIKeyJFSCGURGNSJUSR-UHFFFAOYSA-N
XLogP0.78
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500228
(2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 93044584
1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 43427898
2-[2-(ethylsulfamoyl)anilino]propanoic acid
CID 43468803
N-ethyl-2-(4-methylpentylamino)benzenesulfonamide
CID 54913733
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide
CID 103462606
N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide
CID 54907058
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzenesulfonamide
CID 43454391
N-(2-hydroxypropyl)-2-iodobenzenesulfonamide
CID 167755132
N-ethyl-2-[(3-hydroxycyclobutyl)methylamino]benzenesulfonamide
CID 66007000
N-ethyl-2-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide
CID 65110425

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide?
The IUPAC name of N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide (CID 43500232) is N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide?
The canonical SMILES for N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide is CCNS(=O)(=O)c1ccccc1NCC(C)O.
What is the InChIKey of N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide?
The InChIKey is JFSCGURGNSJUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-3-13-17(15,16)11-7-5-4-6-10(11)12-8-9(2)14/h4-7,9,12-14H,3,8H2,1-2H3.
What are the key properties of N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide?
N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide is sourced from PubChem (CID 43500232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).