4-chloro-N-(3-ethylsulfonylprop-2-enyl)aniline

C11H14ClNO2S — CID 57071956

IUPAC4-chloro-N-(3-ethylsulfonylprop-2-enyl)aniline
SMILESCCS(=O)(=O)C=CCNc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2S/c1-2-16(14,15)9-3-8-13-11-6-4-10(12)5-7-11/h3-7,9,13H,2,8H2,1H3
InChIKeyYTIOBHYCCXNDKQ-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.70
Rot. Bonds5

About 4-chloro-N-(3-ethylsulfonylprop-2-enyl)aniline

4-chloro-N-(3-ethylsulfonylprop-2-enyl)aniline (PubChem CID 57071956) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 4-chloro-N-(3-ethylsulfonylprop-2-enyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(3-ethylsulfonylprop-2-enyl)aniline
PubChem CID57071956
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name4-chloro-N-(3-ethylsulfonylprop-2-enyl)aniline
SMILESCCS(=O)(=O)C=CCNc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2S/c1-2-16(14,15)9-3-8-13-11-6-4-10(12)5-7-11/h3-7,9,13H,2,8H2,1H3
InChIKeyYTIOBHYCCXNDKQ-UHFFFAOYSA-N
XLogP2.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E)-but-2-enyl]-4-chloroaniline
CID 10821279
sodium (4-chloroanilino)methanesulfonate
CID 23681854
4-chloro-N-(2-propylsulfonylethyl)aniline
CID 106513312
4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide
CID 43453946
N-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide
CID 112980277
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
2-(4-chloroanilino)ethanesulfonamide
CID 114384668
4-[(4-chlorophenyl)sulfonylamino]-N-ethylbenzenesulfonamide
CID 22203365
4-[2-(4-chlorophenyl)ethyl]-N-(3-methylbut-2-enyl)aniline
CID 70064948
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
4-chloro-N-methylaniline;propanal
CID 142927020
4-[2-(4-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide
CID 61380564

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-ethylsulfonylprop-2-enyl)aniline?
The IUPAC name of 4-chloro-N-(3-ethylsulfonylprop-2-enyl)aniline (CID 57071956) is 4-chloro-N-(3-ethylsulfonylprop-2-enyl)aniline.
What is the SMILES notation for 4-chloro-N-(3-ethylsulfonylprop-2-enyl)aniline?
The canonical SMILES for 4-chloro-N-(3-ethylsulfonylprop-2-enyl)aniline is CCS(=O)(=O)C=CCNc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3-ethylsulfonylprop-2-enyl)aniline?
The InChIKey is YTIOBHYCCXNDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-2-16(14,15)9-3-8-13-11-6-4-10(12)5-7-11/h3-7,9,13H,2,8H2,1H3.
What are the key properties of 4-chloro-N-(3-ethylsulfonylprop-2-enyl)aniline?
4-chloro-N-(3-ethylsulfonylprop-2-enyl)aniline has a molecular weight of 259.76 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-ethylsulfonylprop-2-enyl)aniline is sourced from PubChem (CID 57071956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).