N-ethoxy-2-phenylpropane-1-sulfonamide

C11H17NO3S — CID 80686317

IUPACN-ethoxy-2-phenylpropane-1-sulfonamide
SMILESCCONS(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C11H17NO3S/c1-3-15-12-16(13,14)9-10(2)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3
InChIKeyFMUJUULUBCFKDJ-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.66
Rot. Bonds6

About N-ethoxy-2-phenylpropane-1-sulfonamide

N-ethoxy-2-phenylpropane-1-sulfonamide (PubChem CID 80686317) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-ethoxy-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-ethoxy-2-phenylpropane-1-sulfonamide
PubChem CID80686317
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-ethoxy-2-phenylpropane-1-sulfonamide
SMILESCCONS(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C11H17NO3S/c1-3-15-12-16(13,14)9-10(2)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3
InChIKeyFMUJUULUBCFKDJ-UHFFFAOYSA-N
XLogP1.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686189
N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686550
N-[2-(ethylamino)ethyl]-2-phenylpropane-1-sulfonamide
CID 80686787
2-(2-phenylpropylsulfonylamino)butanoic acid
CID 80686458
N-(2-chloropentyl)-2-phenylpropane-1-sulfonamide
CID 113496582
2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid
CID 80686315
N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 113282766
N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
CID 80686698
N-(2-chloro-4-methylpentyl)-2-phenylpropane-1-sulfonamide
CID 107158308
2-phenylpropane-1-sulfonic acid
CID 18989058
(2S)-2-phenylpropane-1-sulfonyl chloride
CID 98112212
2-methyl-N-phenylmethoxypropane-1-sulfonamide
CID 64973774

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-ethoxy-2-phenylpropane-1-sulfonamide (CID 80686317) is N-ethoxy-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-ethoxy-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-ethoxy-2-phenylpropane-1-sulfonamide is CCONS(=O)(=O)CC(C)c1ccccc1.
What is the InChIKey of N-ethoxy-2-phenylpropane-1-sulfonamide?
The InChIKey is FMUJUULUBCFKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-3-15-12-16(13,14)9-10(2)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3.
What are the key properties of N-ethoxy-2-phenylpropane-1-sulfonamide?
N-ethoxy-2-phenylpropane-1-sulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 80686317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).