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

C11H15Br2N3O3S — CID 61139554

IUPAC2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C11H15Br2N3O3S/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)
InChIKeyPSEFNOXNZIUCPW-UHFFFAOYSA-N
MW429.13 g/mol
LogP1.55
Rot. Bonds5

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

2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-ethylacetamide (PubChem CID 61139554) has the molecular formula C11H15Br2N3O3S and a molecular weight of 429.13 g/mol. Its IUPAC name is 2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-ethylacetamide
PubChem CID61139554
Molecular FormulaC11H15Br2N3O3S
Molecular Weight429.13 g/mol
Exact Mass426.92
IUPAC Name2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C11H15Br2N3O3S/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)
InChIKeyPSEFNOXNZIUCPW-UHFFFAOYSA-N
XLogP1.55
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.13
LogP ≤ 51.55
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-methylacetamide
CID 43374774
2-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61139363
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575925
2-[(2-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 47256511
2-[(4-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 27276319
2-[(2-amino-4-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61138984
2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide
CID 79930666
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 47256526
4-amino-2,6-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295470
2-[(4-amino-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 79589010
2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide
CID 103101045
4-amino-2,6-dibromo-N,N-diethylbenzenesulfonamide
CID 43256888

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-ethylacetamide (CID 61139554) is 2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)S(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-ethylacetamide?
The InChIKey is PSEFNOXNZIUCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2N3O3S/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-dibromophenyl)sulfonyl-methylamino]-N-ethylacetamide?
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-ethylacetamide has a molecular weight of 429.13 g/mol, XLogP of 1.55, 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-dibromophenyl)sulfonyl-methylamino]-N-ethylacetamide is sourced from PubChem (CID 61139554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).