3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride

C11H16Cl2N2O3S — CID 119290585

IUPAC3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O3S.ClH/c12-9-1-3-10(4-2-9)18(16,17)8-7-14-11(15)5-6-13;/h1-4H,5-8,13H2,(H,14,15);1H
InChIKeyNHBXVAKQYSJIDJ-UHFFFAOYSA-N
MW327.23 g/mol
LogP1.00
Rot. Bonds6

About 3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride

3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride (PubChem CID 119290585) has the molecular formula C11H16Cl2N2O3S and a molecular weight of 327.23 g/mol. Its IUPAC name is 3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride
PubChem CID119290585
Molecular FormulaC11H16Cl2N2O3S
Molecular Weight327.23 g/mol
Exact Mass326.03
IUPAC Name3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O3S.ClH/c12-9-1-3-10(4-2-9)18(16,17)8-7-14-11(15)5-6-13;/h1-4H,5-8,13H2,(H,14,15);1H
InChIKeyNHBXVAKQYSJIDJ-UHFFFAOYSA-N
XLogP1.00
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide
CID 119290606
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride
CID 120560399
N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 2765509
2-(4-chlorophenyl)sulfonylethylcarbamic acid
CID 54308728
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-3-methoxybutanamide
CID 120588902
N-(3-aminopropyl)-2-(4-chlorophenyl)sulfonylacetamide;hydrochloride
CID 119408635
N-[2-(4-chlorophenyl)sulfonylethyl]-2-pyrazol-1-ylacetamide
CID 51091918
3-(4-chlorophenyl)sulfonyl-N-(3-phenylsulfanylpropyl)propanamide
CID 46584501
N-[2-(4-chlorophenyl)sulfonylethyl]but-2-ynamide
CID 166403313
[2-oxo-2-(2-phenylethylamino)ethyl] 3-(4-chlorophenyl)sulfonylpropanoate
CID 2405340
3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 9258901
N-[2-(4-chlorophenyl)sulfonylethyl]azetidine-1-carboxamide
CID 132968648

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride (CID 119290585) is 3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride is Cl.NCCC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride?
The InChIKey is NHBXVAKQYSJIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S.ClH/c12-9-1-3-10(4-2-9)18(16,17)8-7-14-11(15)5-6-13;/h1-4H,5-8,13H2,(H,14,15);1H.
What are the key properties of 3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride?
3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride has a molecular weight of 327.23 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride is sourced from PubChem (CID 119290585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).