2-[(4-bromophenyl)sulfonyl-ethylamino]-N-methylacetamide

C11H15BrN2O3S — CID 2243369

IUPAC2-[(4-bromophenyl)sulfonyl-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O3S/c1-3-14(8-11(15)13-2)18(16,17)10-6-4-9(12)5-7-10/h4-7H,3,8H2,1-2H3,(H,13,15)
InChIKeyHXCHXSUYCAASQX-UHFFFAOYSA-N
MW335.22 g/mol
LogP1.21
Rot. Bonds5

About 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-methylacetamide

2-[(4-bromophenyl)sulfonyl-ethylamino]-N-methylacetamide (PubChem CID 2243369) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-ethylamino]-N-methylacetamide
PubChem CID2243369
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC Name2-[(4-bromophenyl)sulfonyl-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O3S/c1-3-14(8-11(15)13-2)18(16,17)10-6-4-9(12)5-7-10/h4-7H,3,8H2,1-2H3,(H,13,15)
InChIKeyHXCHXSUYCAASQX-UHFFFAOYSA-N
XLogP1.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-methylacetamide (CID 2243369) is 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-methylacetamide?
The InChIKey is HXCHXSUYCAASQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-3-14(8-11(15)13-2)18(16,17)10-6-4-9(12)5-7-10/h4-7H,3,8H2,1-2H3,(H,13,15).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-methylacetamide?
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-methylacetamide has a molecular weight of 335.22 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-ethylamino]-N-methylacetamide is sourced from PubChem (CID 2243369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).