2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide

C10H14ClN3O3S — CID 103100989

IUPAC2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C10H14ClN3O3S/c1-2-14(6-10(13)15)18(16,17)9-4-3-7(11)5-8(9)12/h3-5H,2,6,12H2,1H3,(H2,13,15)
InChIKeyURPTXOJMQIAPBT-UHFFFAOYSA-N
MW291.76 g/mol
LogP0.42
Rot. Bonds5

About 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide

2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide (PubChem CID 103100989) has the molecular formula C10H14ClN3O3S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide
PubChem CID103100989
Molecular FormulaC10H14ClN3O3S
Molecular Weight291.76 g/mol
Exact Mass291.04
IUPAC Name2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C10H14ClN3O3S/c1-2-14(6-10(13)15)18(16,17)9-4-3-7(11)5-8(9)12/h3-5H,2,6,12H2,1H3,(H2,13,15)
InChIKeyURPTXOJMQIAPBT-UHFFFAOYSA-N
XLogP0.42
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 50.42
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-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103101046
methyl 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetate
CID 54998458
2-amino-4-chloro-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61113089
2-amino-4-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide
CID 43587327
2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103101009
2-amino-4-chloro-N-(2-cyanoethyl)-N-ethylbenzenesulfonamide
CID 61140226
2-[(5-amino-2-fluoro-4-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101048
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide
CID 54888765
2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103103881
5-amino-2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid
CID 103100991
2-[(2-amino-2-oxoethyl)-(4-chloro-2-methylphenyl)sulfonylamino]acetic acid
CID 107435779
3-amino-4-(diethylsulfamoyl)benzamide
CID 81470581

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide (CID 103100989) is 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide is CCN(CC(N)=O)S(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is URPTXOJMQIAPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3S/c1-2-14(6-10(13)15)18(16,17)9-4-3-7(11)5-8(9)12/h3-5H,2,6,12H2,1H3,(H2,13,15).
What are the key properties of 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide?
2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide has a molecular weight of 291.76 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 103100989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).