2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide

C14H24N2O3S — CID 106287402

IUPAC2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide
SMILESCCC(CC)C(O)CNc1ccccc1S(=O)(=O)NC
InChIInChI=1S/C14H24N2O3S/c1-4-11(5-2)13(17)10-16-12-8-6-7-9-14(12)20(18,19)15-3/h6-9,11,13,15-17H,4-5,10H2,1-3H3
InChIKeyQLTROVXYQXFGFO-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.80
Rot. Bonds8

About 2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide

2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide (PubChem CID 106287402) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide
PubChem CID106287402
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide
SMILESCCC(CC)C(O)CNc1ccccc1S(=O)(=O)NC
InChIInChI=1S/C14H24N2O3S/c1-4-11(5-2)13(17)10-16-12-8-6-7-9-14(12)20(18,19)15-3/h6-9,11,13,15-17H,4-5,10H2,1-3H3
InChIKeyQLTROVXYQXFGFO-UHFFFAOYSA-N
XLogP1.80
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(methylsulfamoyl)anilino]methyl]butanoic acid
CID 65226875
2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide
CID 115407635
2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 64596946
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylbenzenesulfonamide
CID 107441821
2-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide
CID 106284293
N-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide
CID 113282668
3-ethyl-1-[2-(trifluoromethyl)anilino]pentan-2-ol
CID 106287816
2-(2-methoxypropylamino)-N-methylbenzenesulfonamide
CID 102698834
N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide
CID 43749839
2-(ethylamino)-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 63838250
2-[(4-amino-2-methylbutyl)amino]-N-methylbenzenesulfonamide
CID 66106821
N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500232

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide (CID 106287402) is 2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide is CCC(CC)C(O)CNc1ccccc1S(=O)(=O)NC.
What is the InChIKey of 2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is QLTROVXYQXFGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-11(5-2)13(17)10-16-12-8-6-7-9-14(12)20(18,19)15-3/h6-9,11,13,15-17H,4-5,10H2,1-3H3.
What are the key properties of 2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide?
2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.80, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 106287402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).