N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide

C12H19NO3S — CID 61062339

IUPACN-[3-(2-methylpropoxy)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(OCC(C)C)c1
InChIInChI=1S/C12H19NO3S/c1-4-17(14,15)13-11-6-5-7-12(8-11)16-9-10(2)3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyNNLMWLCAGZUEKE-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.48
Rot. Bonds6

About N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide

N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide (PubChem CID 61062339) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)phenyl]ethanesulfonamide
PubChem CID61062339
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-[3-(2-methylpropoxy)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(OCC(C)C)c1
InChIInChI=1S/C12H19NO3S/c1-4-17(14,15)13-11-6-5-7-12(8-11)16-9-10(2)3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyNNLMWLCAGZUEKE-UHFFFAOYSA-N
XLogP2.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide
CID 107651567
2-[[3-(2-methylpropoxy)phenyl]sulfamoyl]acetic acid
CID 54867388
N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide
CID 28755028
N-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide
CID 64593310
[3-(2-methylpropoxy)phenyl]hydrazine
CID 55281229
3-(2-methylpropoxy)-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64629546
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
N-(3-methylpentan-2-yl)-3-(2-methylpropoxy)aniline
CID 63449668
N-butyl-3-(2-methylpropoxy)aniline
CID 54800101
ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 60643144
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284739

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide (CID 61062339) is N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(OCC(C)C)c1.
What is the InChIKey of N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide?
The InChIKey is NNLMWLCAGZUEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-4-17(14,15)13-11-6-5-7-12(8-11)16-9-10(2)3/h5-8,10,13H,4,9H2,1-3H3.
What are the key properties of N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide?
N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide is sourced from PubChem (CID 61062339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).