N-ethyl-2-propylsulfonylaniline

C11H17NO2S — CID 43453634

IUPACN-ethyl-2-propylsulfonylaniline
SMILESCCCS(=O)(=O)c1ccccc1NCC
InChIInChI=1S/C11H17NO2S/c1-3-9-15(13,14)11-8-6-5-7-10(11)12-4-2/h5-8,12H,3-4,9H2,1-2H3
InChIKeyJUONPENQVZINBJ-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.30
Rot. Bonds5

About N-ethyl-2-propylsulfonylaniline

N-ethyl-2-propylsulfonylaniline (PubChem CID 43453634) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-ethyl-2-propylsulfonylaniline.

Molecular Properties

Compound NameN-ethyl-2-propylsulfonylaniline
PubChem CID43453634
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-ethyl-2-propylsulfonylaniline
SMILESCCCS(=O)(=O)c1ccccc1NCC
InChIInChI=1S/C11H17NO2S/c1-3-9-15(13,14)11-8-6-5-7-10(11)12-4-2/h5-8,12H,3-4,9H2,1-2H3
InChIKeyJUONPENQVZINBJ-UHFFFAOYSA-N
XLogP2.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-propylsulfonyl-N-prop-2-ynylaniline
CID 62141091
2-(2-propylsulfonylanilino)acetic acid
CID 43453612
N-(cyclobutylmethyl)-2-propylsulfonylaniline
CID 43383343
1-methyl-3-(2-propylsulfonylphenyl)urea
CID 117061578
2,2-difluoro-3-(2-propylsulfonylanilino)propan-1-ol
CID 106172244
1-bromo-2-propylsulfonylbenzene
CID 54596100
N-(3-propoxypropyl)-2-propylsulfonylaniline
CID 82943087
3-methyl-4-(2-propylsulfonylanilino)butan-1-ol
CID 66107946
4,4-dimethyl-1-N-(2-propylsulfonylphenyl)pentane-1,2-diamine
CID 107159216
3-[(2-propylsulfonylanilino)methyl]hexan-1-ol
CID 106115691
2-propylsulfonyl-N-(2-thiophen-2-ylethyl)aniline
CID 43453652
N-(2-chloro-3-methoxypropyl)-2-propylsulfonylaniline
CID 65027838

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propylsulfonylaniline?
The IUPAC name of N-ethyl-2-propylsulfonylaniline (CID 43453634) is N-ethyl-2-propylsulfonylaniline.
What is the SMILES notation for N-ethyl-2-propylsulfonylaniline?
The canonical SMILES for N-ethyl-2-propylsulfonylaniline is CCCS(=O)(=O)c1ccccc1NCC.
What is the InChIKey of N-ethyl-2-propylsulfonylaniline?
The InChIKey is JUONPENQVZINBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-3-9-15(13,14)11-8-6-5-7-10(11)12-4-2/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of N-ethyl-2-propylsulfonylaniline?
N-ethyl-2-propylsulfonylaniline has a molecular weight of 227.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propylsulfonylaniline is sourced from PubChem (CID 43453634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).