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

C12H15Br2N3O3S — CID 43575925

IUPAC2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C12H15Br2N3O3S/c1-17(6-11(18)16-8-2-3-8)21(19,20)12-9(13)4-7(15)5-10(12)14/h4-5,8H,2-3,6,15H2,1H3,(H,16,18)
InChIKeyPTQTZYUTSZLLQJ-UHFFFAOYSA-N
MW441.15 g/mol
LogP1.69
Rot. Bonds5

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

2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide (PubChem CID 43575925) has the molecular formula C12H15Br2N3O3S and a molecular weight of 441.15 g/mol. Its IUPAC name is 2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
PubChem CID43575925
Molecular FormulaC12H15Br2N3O3S
Molecular Weight441.15 g/mol
Exact Mass438.92
IUPAC Name2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C12H15Br2N3O3S/c1-17(6-11(18)16-8-2-3-8)21(19,20)12-9(13)4-7(15)5-10(12)14/h4-5,8H,2-3,6,15H2,1H3,(H,16,18)
InChIKeyPTQTZYUTSZLLQJ-UHFFFAOYSA-N
XLogP1.69
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.15
LogP ≤ 51.69
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-dibromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61139554
2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 62057270
2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575882
2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 61074023
2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 8816672
2-[(5-amino-2,4-difluorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575899
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 33174885
2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-methylcyclohexyl)acetamide
CID 22516465
2-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 116791527
2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 61061158
N-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 8816801

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide (CID 43575925) is 2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)S(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The InChIKey is PTQTZYUTSZLLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2N3O3S/c1-17(6-11(18)16-8-2-3-8)21(19,20)12-9(13)4-7(15)5-10(12)14/h4-5,8H,2-3,6,15H2,1H3,(H,16,18).
What are the key properties of 2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide has a molecular weight of 441.15 g/mol, XLogP of 1.69, 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-cyclopropylacetamide is sourced from PubChem (CID 43575925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).