N-[2-(4-chlorophenyl)sulfonylethyl]prop-2-en-1-amine

C11H14ClNO2S — CID 103603103

IUPACN-[2-(4-chlorophenyl)sulfonylethyl]prop-2-en-1-amine
SMILESC=CCNCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2S/c1-2-7-13-8-9-16(14,15)11-5-3-10(12)4-6-11/h2-6,13H,1,7-9H2
InChIKeyOWYHWDKRNJVQFS-UHFFFAOYSA-N
MW259.76 g/mol
LogP1.89
Rot. Bonds6

About N-[2-(4-chlorophenyl)sulfonylethyl]prop-2-en-1-amine

N-[2-(4-chlorophenyl)sulfonylethyl]prop-2-en-1-amine (PubChem CID 103603103) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfonylethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfonylethyl]prop-2-en-1-amine
PubChem CID103603103
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC NameN-[2-(4-chlorophenyl)sulfonylethyl]prop-2-en-1-amine
SMILESC=CCNCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2S/c1-2-7-13-8-9-16(14,15)11-5-3-10(12)4-6-11/h2-6,13H,1,7-9H2
InChIKeyOWYHWDKRNJVQFS-UHFFFAOYSA-N
XLogP1.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene
CID 5128073
2-(4-chlorophenyl)sulfonylethylcarbamic acid
CID 54308728
N-[2-(4-chlorophenyl)sulfonylethyl]-3-ethoxypropan-1-amine
CID 103603111
1-chloro-4-(4-chlorobutylsulfonyl)benzene
CID 21272154
1-(2-bromoethylsulfonyl)-4-chlorobenzene
CID 18526465
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide
CID 119290606
(2R)-N-[2-(4-chlorophenyl)sulfonylethyl]butan-2-amine
CID 7004618
1-chloro-4-[2-[2-(4-chlorophenyl)sulfonylethylperoxy]ethylsulfonyl]benzene
CID 71390594
N-[3-(4-chlorophenyl)sulfonylpropyl]-2-methylpropan-1-amine
CID 64639801
3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride
CID 119290585
1-(3-bromopropylsulfonyl)-4-chlorobenzene
CID 10827889
1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide
CID 18891250

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfonylethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-(4-chlorophenyl)sulfonylethyl]prop-2-en-1-amine (CID 103603103) is N-[2-(4-chlorophenyl)sulfonylethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfonylethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfonylethyl]prop-2-en-1-amine is C=CCNCCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfonylethyl]prop-2-en-1-amine?
The InChIKey is OWYHWDKRNJVQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-2-7-13-8-9-16(14,15)11-5-3-10(12)4-6-11/h2-6,13H,1,7-9H2.
What are the key properties of N-[2-(4-chlorophenyl)sulfonylethyl]prop-2-en-1-amine?
N-[2-(4-chlorophenyl)sulfonylethyl]prop-2-en-1-amine has a molecular weight of 259.76 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfonylethyl]prop-2-en-1-amine is sourced from PubChem (CID 103603103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).