N-(3-aminopropyl)-2-(4-chlorophenyl)sulfonylacetamide;hydrochloride

C11H16Cl2N2O3S — CID 119408635

IUPACN-(3-aminopropyl)-2-(4-chlorophenyl)sulfonylacetamide;hydrochloride
SMILESCl.NCCCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O3S.ClH/c12-9-2-4-10(5-3-9)18(16,17)8-11(15)14-7-1-6-13;/h2-5H,1,6-8,13H2,(H,14,15);1H
InChIKeyLXKYFXZXYPUFNI-UHFFFAOYSA-N
MW327.23 g/mol
LogP1.00
Rot. Bonds6

About N-(3-aminopropyl)-2-(4-chlorophenyl)sulfonylacetamide;hydrochloride

N-(3-aminopropyl)-2-(4-chlorophenyl)sulfonylacetamide;hydrochloride (PubChem CID 119408635) has the molecular formula C11H16Cl2N2O3S and a molecular weight of 327.23 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(4-chlorophenyl)sulfonylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(4-chlorophenyl)sulfonylacetamide;hydrochloride
PubChem CID119408635
Molecular FormulaC11H16Cl2N2O3S
Molecular Weight327.23 g/mol
Exact Mass326.03
IUPAC NameN-(3-aminopropyl)-2-(4-chlorophenyl)sulfonylacetamide;hydrochloride
SMILESCl.NCCCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O3S.ClH/c12-9-2-4-10(5-3-9)18(16,17)8-11(15)14-7-1-6-13;/h2-5H,1,6-8,13H2,(H,14,15);1H
InChIKeyLXKYFXZXYPUFNI-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

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)sulfonyl-N-propylacetamide
CID 24654499
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide
CID 119290606
N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 2765509
N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide
CID 64697569
3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride
CID 119290585
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 119630251
N-(3-aminopropyl)-2-(4-chlorophenyl)acetamide;hydrochloride
CID 119408603
2-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)acetamide
CID 34452142
2-(4-chlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]acetamide
CID 24654937
N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119407638
2-(4-chlorophenyl)sulfonyl-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 34450269
2-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]acetamide
CID 34381808

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(4-chlorophenyl)sulfonylacetamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-(4-chlorophenyl)sulfonylacetamide;hydrochloride (CID 119408635) is N-(3-aminopropyl)-2-(4-chlorophenyl)sulfonylacetamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-(4-chlorophenyl)sulfonylacetamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-(4-chlorophenyl)sulfonylacetamide;hydrochloride is Cl.NCCCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(3-aminopropyl)-2-(4-chlorophenyl)sulfonylacetamide;hydrochloride?
The InChIKey is LXKYFXZXYPUFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S.ClH/c12-9-2-4-10(5-3-9)18(16,17)8-11(15)14-7-1-6-13;/h2-5H,1,6-8,13H2,(H,14,15);1H.
What are the key properties of N-(3-aminopropyl)-2-(4-chlorophenyl)sulfonylacetamide;hydrochloride?
N-(3-aminopropyl)-2-(4-chlorophenyl)sulfonylacetamide;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 N-(3-aminopropyl)-2-(4-chlorophenyl)sulfonylacetamide;hydrochloride is sourced from PubChem (CID 119408635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).