2-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-ethylacetamide

C11H15Cl2N3O3S — CID 61139363

IUPAC2-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H15Cl2N3O3S/c1-3-15-10(17)6-16(2)20(18,19)11-8(12)4-7(14)5-9(11)13/h4-5H,3,6,14H2,1-2H3,(H,15,17)
InChIKeyWNMWTGAPRZBPHW-UHFFFAOYSA-N
MW340.23 g/mol
LogP1.33
Rot. Bonds5

About 2-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-ethylacetamide

2-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-ethylacetamide (PubChem CID 61139363) has the molecular formula C11H15Cl2N3O3S and a molecular weight of 340.23 g/mol. Its IUPAC name is 2-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-ethylacetamide
PubChem CID61139363
Molecular FormulaC11H15Cl2N3O3S
Molecular Weight340.23 g/mol
Exact Mass339.02
IUPAC Name2-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H15Cl2N3O3S/c1-3-15-10(17)6-16(2)20(18,19)11-8(12)4-7(14)5-9(11)13/h4-5H,3,6,14H2,1-2H3,(H,15,17)
InChIKeyWNMWTGAPRZBPHW-UHFFFAOYSA-N
XLogP1.33
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 51.33
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-2,6-dibromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61139554
3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106914013
2-[(2-amino-4-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61138984
2-[(3-amino-2-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 55134560
2-chloro-4-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid
CID 107089967
3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106914100
2-[(4-amino-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 79589010
2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 28536385
4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115647
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374774
4-amino-2,6-dichloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81052803
4-amino-2,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60983932

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-ethylacetamide (CID 61139363) is 2-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 2-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-ethylacetamide?
The InChIKey is WNMWTGAPRZBPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O3S/c1-3-15-10(17)6-16(2)20(18,19)11-8(12)4-7(14)5-9(11)13/h4-5H,3,6,14H2,1-2H3,(H,15,17).
What are the key properties of 2-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-ethylacetamide?
2-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-ethylacetamide has a molecular weight of 340.23 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-ethylacetamide is sourced from PubChem (CID 61139363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).