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

C19H33NO3S — CID 91670292

IUPAC2-ethoxy-5-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
SMILESCCOc1ccc(C(C)C)cc1S(=O)(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C19H33NO3S/c1-9-23-16-11-10-15(14(2)3)12-17(16)24(21,22)20-19(7,8)13-18(4,5)6/h10-12,14,20H,9,13H2,1-8H3
InChIKeyGOMHAPYSBPQXIH-UHFFFAOYSA-N
MW355.54 g/mol
LogP4.70
Rot. Bonds7

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

2-ethoxy-5-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide (PubChem CID 91670292) has the molecular formula C19H33NO3S and a molecular weight of 355.54 g/mol. Its IUPAC name is 2-ethoxy-5-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-5-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
PubChem CID91670292
Molecular FormulaC19H33NO3S
Molecular Weight355.54 g/mol
Exact Mass355.22
IUPAC Name2-ethoxy-5-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
SMILESCCOc1ccc(C(C)C)cc1S(=O)(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C19H33NO3S/c1-9-23-16-11-10-15(14(2)3)12-17(16)24(21,22)20-19(7,8)13-18(4,5)6/h10-12,14,20H,9,13H2,1-8H3
InChIKeyGOMHAPYSBPQXIH-UHFFFAOYSA-N
XLogP4.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.54
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 50876758
N-benzyl-2-ethoxy-5-propan-2-ylbenzenesulfonamide
CID 2234187
5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 7938973
2-ethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide
CID 41349122
2-ethoxy-N-[2-[4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide
CID 91670271
5-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 3859301
2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]-5-propan-2-ylbenzenesulfonamide
CID 42226805
N-(1-amino-2,3-dimethylbutan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide
CID 115310717
4-propoxy-N-(2,4,4-trimethylpentan-2-yl)naphthalene-1-sulfonamide
CID 146145742
2-ethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-propan-2-ylbenzenesulfonamide
CID 41349111
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
2-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide
CID 41241616

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 2-ethoxy-5-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide (CID 91670292) is 2-ethoxy-5-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-ethoxy-5-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-ethoxy-5-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide is CCOc1ccc(C(C)C)cc1S(=O)(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-ethoxy-5-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide?
The InChIKey is GOMHAPYSBPQXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3S/c1-9-23-16-11-10-15(14(2)3)12-17(16)24(21,22)20-19(7,8)13-18(4,5)6/h10-12,14,20H,9,13H2,1-8H3.
What are the key properties of 2-ethoxy-5-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide?
2-ethoxy-5-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide has a molecular weight of 355.54 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 91670292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).