3-[1-(3-ethylanilino)ethyl]benzenesulfonamide

C16H20N2O2S — CID 43765077

IUPAC3-[1-(3-ethylanilino)ethyl]benzenesulfonamide
SMILESCCc1cccc(NC(C)c2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C16H20N2O2S/c1-3-13-6-4-8-15(10-13)18-12(2)14-7-5-9-16(11-14)21(17,19)20/h4-12,18H,3H2,1-2H3,(H2,17,19,20)
InChIKeyYXYHCLTWZKRWKM-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.07
Rot. Bonds5

About 3-[1-(3-ethylanilino)ethyl]benzenesulfonamide

3-[1-(3-ethylanilino)ethyl]benzenesulfonamide (PubChem CID 43765077) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-[1-(3-ethylanilino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(3-ethylanilino)ethyl]benzenesulfonamide
PubChem CID43765077
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-[1-(3-ethylanilino)ethyl]benzenesulfonamide
SMILESCCc1cccc(NC(C)c2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C16H20N2O2S/c1-3-13-6-4-8-15(10-13)18-12(2)14-7-5-9-16(11-14)21(17,19)20/h4-12,18H,3H2,1-2H3,(H2,17,19,20)
InChIKeyYXYHCLTWZKRWKM-UHFFFAOYSA-N
XLogP3.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide
CID 43762132
3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide
CID 43761911
3-[1-(3-ethynylanilino)ethyl]benzenesulfonamide
CID 43755444
3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
CID 43776942
3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43196055
3-(1-pyridin-4-ylethylamino)benzenesulfonamide
CID 43193565
3-[1-(4-bromophenyl)ethylamino]benzenesulfonamide
CID 43102327
3-(1-pyridin-3-ylethylamino)benzenesulfonamide
CID 43193566
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
3-[1-(4-nitroanilino)ethyl]benzenesulfonamide
CID 78814728
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-ethyl-N-(1-naphthalen-2-ylethyl)aniline
CID 43099352

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-ethylanilino)ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-(3-ethylanilino)ethyl]benzenesulfonamide (CID 43765077) is 3-[1-(3-ethylanilino)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-(3-ethylanilino)ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-(3-ethylanilino)ethyl]benzenesulfonamide is CCc1cccc(NC(C)c2cccc(S(N)(=O)=O)c2)c1.
What is the InChIKey of 3-[1-(3-ethylanilino)ethyl]benzenesulfonamide?
The InChIKey is YXYHCLTWZKRWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-13-6-4-8-15(10-13)18-12(2)14-7-5-9-16(11-14)21(17,19)20/h4-12,18H,3H2,1-2H3,(H2,17,19,20).
What are the key properties of 3-[1-(3-ethylanilino)ethyl]benzenesulfonamide?
3-[1-(3-ethylanilino)ethyl]benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-ethylanilino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43765077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).