2-ethoxy-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide

C17H29NO3S — CID 50876758

IUPAC2-ethoxy-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
SMILESCCOc1ccc(C)cc1S(=O)(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H29NO3S/c1-8-21-14-10-9-13(2)11-15(14)22(19,20)18-17(6,7)12-16(3,4)5/h9-11,18H,8,12H2,1-7H3
InChIKeyJDOCPCIXHYTJEL-UHFFFAOYSA-N
MW327.49 g/mol
LogP3.89
Rot. Bonds6

About 2-ethoxy-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide

2-ethoxy-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide (PubChem CID 50876758) has the molecular formula C17H29NO3S and a molecular weight of 327.49 g/mol. Its IUPAC name is 2-ethoxy-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
PubChem CID50876758
Molecular FormulaC17H29NO3S
Molecular Weight327.49 g/mol
Exact Mass327.19
IUPAC Name2-ethoxy-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
SMILESCCOc1ccc(C)cc1S(=O)(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H29NO3S/c1-8-21-14-10-9-13(2)11-15(14)22(19,20)18-17(6,7)12-16(3,4)5/h9-11,18H,8,12H2,1-7H3
InChIKeyJDOCPCIXHYTJEL-UHFFFAOYSA-N
XLogP3.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-5-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 91670292
2-ethoxy-5-methyl-N-propylbenzenesulfonamide
CID 54449996
2-ethoxy-5-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
CID 7450668
5-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 3859301
5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide
CID 8014730
3,4-diethoxy-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 9055901
N-[2-(3,5-dimethylphenoxy)ethyl]-2,5-diethoxybenzenesulfonamide
CID 30365980
N-(1-aminooxy-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 39371866
2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide
CID 95187888
(4-chloro-3,5-dimethylphenyl) 2-ethoxy-5-methylbenzenesulfonate
CID 139016042
N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119975791
N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methoxy-5-methylbenzenesulfonamide
CID 110517954

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 2-ethoxy-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide (CID 50876758) is 2-ethoxy-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-ethoxy-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-ethoxy-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide is CCOc1ccc(C)cc1S(=O)(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-ethoxy-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide?
The InChIKey is JDOCPCIXHYTJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3S/c1-8-21-14-10-9-13(2)11-15(14)22(19,20)18-17(6,7)12-16(3,4)5/h9-11,18H,8,12H2,1-7H3.
What are the key properties of 2-ethoxy-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide?
2-ethoxy-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide has a molecular weight of 327.49 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 50876758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).