N-butyl-N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide

C15H25NO3S — CID 61448329

IUPACN-butyl-N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H25NO3S/c1-5-6-7-16(8-9-17)20(18,19)15-13(3)10-12(2)11-14(15)4/h10-11,17H,5-9H2,1-4H3
InChIKeyIHAFJTYAYURZIS-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.39
Rot. Bonds7

About N-butyl-N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide

N-butyl-N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 61448329) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID61448329
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC NameN-butyl-N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H25NO3S/c1-5-6-7-16(8-9-17)20(18,19)15-13(3)10-12(2)11-14(15)4/h10-11,17H,5-9H2,1-4H3
InChIKeyIHAFJTYAYURZIS-UHFFFAOYSA-N
XLogP2.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-2,4,6-trimethyl-N-propylbenzenesulfonamide
CID 61425521
N,N-dihexyl-2,4,6-trimethylbenzenesulfonamide
CID 19682365
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-N-butyl-N-ethyl-2,6-dimethylbenzenesulfonamide
CID 79589441
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
4-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]butanamide
CID 69170687
N-butyl-2,4,6-trimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 50776101
N-ethyl-2,4,6-trimethyl-N-[3-[2-(oxiran-2-yl)ethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 11341646
N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107327891
N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61448011
N-butyl-N-(2-hydroxyethyl)-2-methyl-6-nitrobenzenesulfonamide
CID 61448426
3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-propylbenzenesulfonamide
CID 106504018

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide (CID 61448329) is N-butyl-N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide is CCCCN(CCO)S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is IHAFJTYAYURZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-5-6-7-16(8-9-17)20(18,19)15-13(3)10-12(2)11-14(15)4/h10-11,17H,5-9H2,1-4H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide?
N-butyl-N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 61448329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).