2-(5-amino-2-chlorophenyl)sulfonyl-N-pentan-3-ylacetamide

C13H19ClN2O3S — CID 81202646

IUPAC2-(5-amino-2-chlorophenyl)sulfonyl-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CS(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-3-10(4-2)16-13(17)8-20(18,19)12-7-9(15)5-6-11(12)14/h5-7,10H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeyJDBDMOGRAKBUAJ-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.00
Rot. Bonds6

About 2-(5-amino-2-chlorophenyl)sulfonyl-N-pentan-3-ylacetamide

2-(5-amino-2-chlorophenyl)sulfonyl-N-pentan-3-ylacetamide (PubChem CID 81202646) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-(5-amino-2-chlorophenyl)sulfonyl-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-chlorophenyl)sulfonyl-N-pentan-3-ylacetamide
PubChem CID81202646
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name2-(5-amino-2-chlorophenyl)sulfonyl-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CS(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-3-10(4-2)16-13(17)8-20(18,19)12-7-9(15)5-6-11(12)14/h5-7,10H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeyJDBDMOGRAKBUAJ-UHFFFAOYSA-N
XLogP2.00
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-(2-ethylbutylsulfonyl)aniline
CID 82935838
2-(5-amino-2-methylphenyl)sulfonyl-N-butan-2-ylacetamide
CID 81191298
2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide
CID 47218676
2-[(5-amino-2-chlorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567646
2-(5-amino-2-chlorophenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81201760
5-amino-2-chloro-N-hex-5-yn-3-ylbenzenesulfonamide
CID 113476920
2-(4-methylphenyl)sulfonyl-N-pentan-3-ylacetamide
CID 17309471
2-(4-amino-2-chlorophenyl)sulfonyl-N-carbamoylacetamide
CID 81181899
2-(3,4-dichloroanilino)-N-pentan-3-ylacetamide
CID 60671364
2-(2-amino-5-chlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)acetamide
CID 81180693
N-(5-amino-2-chlorophenyl)sulfonylacetamide
CID 90103999
4-[2-oxo-2-(pentan-3-ylamino)ethyl]sulfonylbenzoic acid
CID 60709127

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chlorophenyl)sulfonyl-N-pentan-3-ylacetamide?
The IUPAC name of 2-(5-amino-2-chlorophenyl)sulfonyl-N-pentan-3-ylacetamide (CID 81202646) is 2-(5-amino-2-chlorophenyl)sulfonyl-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(5-amino-2-chlorophenyl)sulfonyl-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(5-amino-2-chlorophenyl)sulfonyl-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CS(=O)(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 2-(5-amino-2-chlorophenyl)sulfonyl-N-pentan-3-ylacetamide?
The InChIKey is JDBDMOGRAKBUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-3-10(4-2)16-13(17)8-20(18,19)12-7-9(15)5-6-11(12)14/h5-7,10H,3-4,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(5-amino-2-chlorophenyl)sulfonyl-N-pentan-3-ylacetamide?
2-(5-amino-2-chlorophenyl)sulfonyl-N-pentan-3-ylacetamide has a molecular weight of 318.83 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chlorophenyl)sulfonyl-N-pentan-3-ylacetamide is sourced from PubChem (CID 81202646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).