N-(2-hydroxyethyl)-2,4,6-trimethyl-N-propylbenzenesulfonamide

C14H23NO3S — CID 61425521

IUPACN-(2-hydroxyethyl)-2,4,6-trimethyl-N-propylbenzenesulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H23NO3S/c1-5-6-15(7-8-16)19(17,18)14-12(3)9-11(2)10-13(14)4/h9-10,16H,5-8H2,1-4H3
InChIKeyGENCFNZVXHBFPC-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.00
Rot. Bonds6

About N-(2-hydroxyethyl)-2,4,6-trimethyl-N-propylbenzenesulfonamide

N-(2-hydroxyethyl)-2,4,6-trimethyl-N-propylbenzenesulfonamide (PubChem CID 61425521) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2,4,6-trimethyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2,4,6-trimethyl-N-propylbenzenesulfonamide
PubChem CID61425521
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-(2-hydroxyethyl)-2,4,6-trimethyl-N-propylbenzenesulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H23NO3S/c1-5-6-15(7-8-16)19(17,18)14-12(3)9-11(2)10-13(14)4/h9-10,16H,5-8H2,1-4H3
InChIKeyGENCFNZVXHBFPC-UHFFFAOYSA-N
XLogP2.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide
CID 61448329
N,N-dihexyl-2,4,6-trimethylbenzenesulfonamide
CID 19682365
3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-propylbenzenesulfonamide
CID 106504018
4-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]butanamide
CID 69170687
N-[4-[4-[4-[4-aminobutyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl]-N-ethyl-2,4,6-trimethylbenzenesulfonamide
CID 11115779
4-amino-2,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 61111098
N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107327891
2,4,6-trimethyl-N-[3-[(2,4,6-trimethylphenyl)sulfonyl-[3-[(2,4,6-trimethylphenyl)sulfonyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propyl]amino]propyl]amino]propyl]benzenesulfonamide
CID 10056638
N-ethyl-2,4,6-trimethyl-N-[3-[2-(oxiran-2-yl)ethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 11341646
2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 61111099
5-[2-hydroxyethyl(propyl)sulfamoyl]-2-methylbenzoic acid
CID 60951704
2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 61216060

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2,4,6-trimethyl-N-propylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-2,4,6-trimethyl-N-propylbenzenesulfonamide (CID 61425521) is N-(2-hydroxyethyl)-2,4,6-trimethyl-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2,4,6-trimethyl-N-propylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-2,4,6-trimethyl-N-propylbenzenesulfonamide is CCCN(CCO)S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-(2-hydroxyethyl)-2,4,6-trimethyl-N-propylbenzenesulfonamide?
The InChIKey is GENCFNZVXHBFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-5-6-15(7-8-16)19(17,18)14-12(3)9-11(2)10-13(14)4/h9-10,16H,5-8H2,1-4H3.
What are the key properties of N-(2-hydroxyethyl)-2,4,6-trimethyl-N-propylbenzenesulfonamide?
N-(2-hydroxyethyl)-2,4,6-trimethyl-N-propylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2,4,6-trimethyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 61425521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).