N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethylsulfonylaniline

C14H16BrNO2S2 — CID 61000541

IUPACN-[1-(5-bromothiophen-2-yl)ethyl]-2-ethylsulfonylaniline
SMILESCCS(=O)(=O)c1ccccc1NC(C)c1ccc(Br)s1
InChIInChI=1S/C14H16BrNO2S2/c1-3-20(17,18)13-7-5-4-6-11(13)16-10(2)12-8-9-14(15)19-12/h4-10,16H,3H2,1-2H3
InChIKeyVPGQDDHIEGYLLS-UHFFFAOYSA-N
MW374.33 g/mol
LogP4.48
Rot. Bonds5

About N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethylsulfonylaniline

N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethylsulfonylaniline (PubChem CID 61000541) has the molecular formula C14H16BrNO2S2 and a molecular weight of 374.33 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethylsulfonylaniline.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)ethyl]-2-ethylsulfonylaniline
PubChem CID61000541
Molecular FormulaC14H16BrNO2S2
Molecular Weight374.33 g/mol
Exact Mass372.98
IUPAC NameN-[1-(5-bromothiophen-2-yl)ethyl]-2-ethylsulfonylaniline
SMILESCCS(=O)(=O)c1ccccc1NC(C)c1ccc(Br)s1
InChIInChI=1S/C14H16BrNO2S2/c1-3-20(17,18)13-7-5-4-6-11(13)16-10(2)12-8-9-14(15)19-12/h4-10,16H,3H2,1-2H3
InChIKeyVPGQDDHIEGYLLS-UHFFFAOYSA-N
XLogP4.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]aniline
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2-ethylsulfonyl-N-(3-methylbutan-2-yl)aniline
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N-[1-(5-bromothiophen-2-yl)ethyl]-2-methylpyridin-3-amine
CID 79042136
2-ethylsulfonyl-N-[(1-propan-2-ylcyclopropyl)methyl]aniline
CID 102846486
N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dichloroaniline
CID 63422025
N-[1-(5-bromothiophen-2-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 63433281
2-(2-ethylsulfonylanilino)-N-methylpropanamide
CID 54950934
2-ethylsulfonyl-N-(1-pyrrolidin-1-ylpropan-2-yl)aniline
CID 61474408
2-ethylsulfonyl-N-(4-methylpentyl)aniline
CID 54913636
N'-(2-ethylsulfonylphenyl)-1-phenylethane-1,2-diamine
CID 63120930
5-(2-ethylsulfonylanilino)-2-methylpentan-1-ol
CID 102846516

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethylsulfonylaniline?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethylsulfonylaniline (CID 61000541) is N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethylsulfonylaniline.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethylsulfonylaniline?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethylsulfonylaniline is CCS(=O)(=O)c1ccccc1NC(C)c1ccc(Br)s1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethylsulfonylaniline?
The InChIKey is VPGQDDHIEGYLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2S2/c1-3-20(17,18)13-7-5-4-6-11(13)16-10(2)12-8-9-14(15)19-12/h4-10,16H,3H2,1-2H3.
What are the key properties of N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethylsulfonylaniline?
N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethylsulfonylaniline has a molecular weight of 374.33 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethylsulfonylaniline is sourced from PubChem (CID 61000541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).