2-(4-ethylanilino)ethanesulfonyl fluoride;hydrochloride

C10H15ClFNO2S — CID 88507578

IUPAC2-(4-ethylanilino)ethanesulfonyl fluoride;hydrochloride
SMILESCCc1ccc(NCCS(=O)(=O)F)cc1.Cl
InChIInChI=1S/C10H14FNO2S.ClH/c1-2-9-3-5-10(6-4-9)12-7-8-15(11,13)14;/h3-6,12H,2,7-8H2,1H3;1H
InChIKeyVUPUKWRRCQXJMO-UHFFFAOYSA-N
MW267.75 g/mol
LogP2.38
Rot. Bonds5

About 2-(4-ethylanilino)ethanesulfonyl fluoride;hydrochloride

2-(4-ethylanilino)ethanesulfonyl fluoride;hydrochloride (PubChem CID 88507578) has the molecular formula C10H15ClFNO2S and a molecular weight of 267.75 g/mol. Its IUPAC name is 2-(4-ethylanilino)ethanesulfonyl fluoride;hydrochloride.

Molecular Properties

Compound Name2-(4-ethylanilino)ethanesulfonyl fluoride;hydrochloride
PubChem CID88507578
Molecular FormulaC10H15ClFNO2S
Molecular Weight267.75 g/mol
Exact Mass267.05
IUPAC Name2-(4-ethylanilino)ethanesulfonyl fluoride;hydrochloride
SMILESCCc1ccc(NCCS(=O)(=O)F)cc1.Cl
InChIInChI=1S/C10H14FNO2S.ClH/c1-2-9-3-5-10(6-4-9)12-7-8-15(11,13)14;/h3-6,12H,2,7-8H2,1H3;1H
InChIKeyVUPUKWRRCQXJMO-UHFFFAOYSA-N
XLogP2.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.75
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-butylanilino)ethanesulfonyl fluoride;hydrochloride
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2-(4-phenyldiazenylanilino)ethanesulfonyl fluoride
CID 3111898
4-ethyl-N-(3-fluoropropyl)aniline
CID 81106557
N,4-diethylaniline
CID 6429431
N'-tert-butyl-N-(4-ethylphenyl)ethane-1,2-diamine
CID 107444584
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
4-butyl-N-(2-propylsulfonylethyl)aniline
CID 106723202
4-ethyl-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985145
4-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 834409
N-(2-ethylsulfonylethyl)-4-methoxyaniline
CID 43807675
N-[4-[(4-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70938934
N-(2-ethylsulfonylethyl)-4-phenylaniline
CID 62253497

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)ethanesulfonyl fluoride;hydrochloride?
The IUPAC name of 2-(4-ethylanilino)ethanesulfonyl fluoride;hydrochloride (CID 88507578) is 2-(4-ethylanilino)ethanesulfonyl fluoride;hydrochloride.
What is the SMILES notation for 2-(4-ethylanilino)ethanesulfonyl fluoride;hydrochloride?
The canonical SMILES for 2-(4-ethylanilino)ethanesulfonyl fluoride;hydrochloride is CCc1ccc(NCCS(=O)(=O)F)cc1.Cl.
What is the InChIKey of 2-(4-ethylanilino)ethanesulfonyl fluoride;hydrochloride?
The InChIKey is VUPUKWRRCQXJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S.ClH/c1-2-9-3-5-10(6-4-9)12-7-8-15(11,13)14;/h3-6,12H,2,7-8H2,1H3;1H.
What are the key properties of 2-(4-ethylanilino)ethanesulfonyl fluoride;hydrochloride?
2-(4-ethylanilino)ethanesulfonyl fluoride;hydrochloride has a molecular weight of 267.75 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)ethanesulfonyl fluoride;hydrochloride is sourced from PubChem (CID 88507578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).