2-(2-amino-6-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide

C13H19ClN2O3S — CID 81185379

IUPAC2-(2-amino-6-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CS(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-3-5-9(2)16-12(17)8-20(18,19)13-10(14)6-4-7-11(13)15/h4,6-7,9H,3,5,8,15H2,1-2H3,(H,16,17)
InChIKeyYGIQXBMAOGTIAD-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.00
Rot. Bonds6

About 2-(2-amino-6-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide

2-(2-amino-6-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide (PubChem CID 81185379) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-(2-amino-6-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-amino-6-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide
PubChem CID81185379
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name2-(2-amino-6-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CS(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-3-5-9(2)16-12(17)8-20(18,19)13-10(14)6-4-7-11(13)15/h4,6-7,9H,3,5,8,15H2,1-2H3,(H,16,17)
InChIKeyYGIQXBMAOGTIAD-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

2-(4-amino-3-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide
CID 81202581
2-[(3-amino-2-pyridinyl)sulfonyl]-N-pentan-2-ylacetamide
CID 61489654
2-(2-amino-5-methylphenyl)sulfonyl-N-pentan-2-ylacetamide
CID 81183653
3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide
CID 133225006
3-chloro-2-(2,2,2-trifluoroethylsulfonyl)aniline
CID 81182114
4-(2-amino-6-chlorophenyl)sulfonyl-N-methylbutanamide
CID 81182283
2-amino-6-chloro-N-hexan-2-ylbenzamide
CID 63660411
2-(2-amino-6-chlorophenyl)sulfonyl-1-(azepan-1-yl)ethanone
CID 81185661
2-(2-amino-6-chlorophenyl)sulfonylpropanamide
CID 81186260
3-chloro-2-(methoxymethylsulfonyl)aniline
CID 81182200
2-amino-6-methoxy-N-pentan-2-ylbenzamide
CID 81409671
N-[(2R)-butan-2-yl]-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 9443858

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide?
The IUPAC name of 2-(2-amino-6-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide (CID 81185379) is 2-(2-amino-6-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(2-amino-6-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(2-amino-6-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CS(=O)(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-(2-amino-6-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide?
The InChIKey is YGIQXBMAOGTIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-3-5-9(2)16-12(17)8-20(18,19)13-10(14)6-4-7-11(13)15/h4,6-7,9H,3,5,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-amino-6-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide?
2-(2-amino-6-chlorophenyl)sulfonyl-N-pentan-2-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-(2-amino-6-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide is sourced from PubChem (CID 81185379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).