4-ethylsulfonyl-N-(2-methylpropyl)aniline

C12H19NO2S — CID 43453340

IUPAC4-ethylsulfonyl-N-(2-methylpropyl)aniline
SMILESCCS(=O)(=O)c1ccc(NCC(C)C)cc1
InChIInChI=1S/C12H19NO2S/c1-4-16(14,15)12-7-5-11(6-8-12)13-9-10(2)3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyGGBAEBBCWRHHFB-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.55
Rot. Bonds5

About 4-ethylsulfonyl-N-(2-methylpropyl)aniline

4-ethylsulfonyl-N-(2-methylpropyl)aniline (PubChem CID 43453340) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name4-ethylsulfonyl-N-(2-methylpropyl)aniline
PubChem CID43453340
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name4-ethylsulfonyl-N-(2-methylpropyl)aniline
SMILESCCS(=O)(=O)c1ccc(NCC(C)C)cc1
InChIInChI=1S/C12H19NO2S/c1-4-16(14,15)12-7-5-11(6-8-12)13-9-10(2)3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyGGBAEBBCWRHHFB-UHFFFAOYSA-N
XLogP2.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylbutyl)-4-ethylsulfonylaniline
CID 64596945
N-methyl-4-(2-methylpropylamino)benzenesulfonamide
CID 43453809
1-(4-ethylsulfonylanilino)-4,4-dimethylpentan-2-ol
CID 102846374
2-(4-ethylsulfonylanilino)-1-thiophen-3-ylethanol
CID 102846389
4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide
CID 112980396
4-ethylsulfonyl-N-(2-propan-2-yloxyethyl)aniline
CID 113250557
N-(2,2-dimethylbutyl)-4-ethylsulfonylaniline
CID 103462508
4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide
CID 62149672
4-methyl-1-(4-propylsulfonylanilino)pentan-2-ol
CID 107153331
4-ethylsulfonyl-N-(2,2,2-trifluoroethyl)aniline
CID 43453365
4-ethylsulfonyl-N-pentylaniline
CID 43453358
N-(2-methylpropyl)-4-piperidin-1-ylsulfonylaniline
CID 735445

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-(2-methylpropyl)aniline?
The IUPAC name of 4-ethylsulfonyl-N-(2-methylpropyl)aniline (CID 43453340) is 4-ethylsulfonyl-N-(2-methylpropyl)aniline.
What is the SMILES notation for 4-ethylsulfonyl-N-(2-methylpropyl)aniline?
The canonical SMILES for 4-ethylsulfonyl-N-(2-methylpropyl)aniline is CCS(=O)(=O)c1ccc(NCC(C)C)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-(2-methylpropyl)aniline?
The InChIKey is GGBAEBBCWRHHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-16(14,15)12-7-5-11(6-8-12)13-9-10(2)3/h5-8,10,13H,4,9H2,1-3H3.
What are the key properties of 4-ethylsulfonyl-N-(2-methylpropyl)aniline?
4-ethylsulfonyl-N-(2-methylpropyl)aniline has a molecular weight of 241.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-(2-methylpropyl)aniline is sourced from PubChem (CID 43453340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).