2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide

C13H20ClN3O3S — CID 61127317

IUPAC2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H20ClN3O3S/c1-4-17(8-13(18)16-9(2)3)21(19,20)12-6-5-10(15)7-11(12)14/h5-7,9H,4,8,15H2,1-3H3,(H,16,18)
InChIKeyVLRPIDWPCWJUQG-UHFFFAOYSA-N
MW333.84 g/mol
LogP1.46
Rot. Bonds6

About 2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide

2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide (PubChem CID 61127317) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is 2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
PubChem CID61127317
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H20ClN3O3S/c1-4-17(8-13(18)16-9(2)3)21(19,20)12-6-5-10(15)7-11(12)14/h5-7,9H,4,8,15H2,1-3H3,(H,16,18)
InChIKeyVLRPIDWPCWJUQG-UHFFFAOYSA-N
XLogP1.46
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 51.46
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-2-chlorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 43587561
4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 43265441
2-[(3-amino-4-methylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
CID 61127922
N-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 92517954
4-amino-2-chloro-N-(2-cyanoethyl)-N-ethylbenzenesulfonamide
CID 61138325
4-amino-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 61139557
4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63696287
4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61139448
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide
CID 54888765
2-[(5-amino-2-ethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114283
[2-oxo-2-(propan-2-ylamino)ethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510512
4-amino-2-chloro-N-propan-2-yl-N-propylbenzenesulfonamide
CID 43269143

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide (CID 61127317) is 2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is VLRPIDWPCWJUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3S/c1-4-17(8-13(18)16-9(2)3)21(19,20)12-6-5-10(15)7-11(12)14/h5-7,9H,4,8,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide?
2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 333.84 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 61127317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).