2-[(2-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide

C11H15BrN2O3S — CID 47256511

IUPAC2-[(2-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C11H15BrN2O3S/c1-3-13-11(15)8-14(2)18(16,17)10-7-5-4-6-9(10)12/h4-7H,3,8H2,1-2H3,(H,13,15)
InChIKeyBSOTZCBIHAMRHT-UHFFFAOYSA-N
MW335.22 g/mol
LogP1.21
Rot. Bonds5

About 2-[(2-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide

2-[(2-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide (PubChem CID 47256511) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is 2-[(2-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
PubChem CID47256511
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC Name2-[(2-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C11H15BrN2O3S/c1-3-13-11(15)8-14(2)18(16,17)10-7-5-4-6-9(10)12/h4-7H,3,8H2,1-2H3,(H,13,15)
InChIKeyBSOTZCBIHAMRHT-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

Analyze 2-[(2-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 27276319
2-[(3-amino-2-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 55134560
3-[(2-bromophenyl)sulfonyl-methylamino]propanoic acid
CID 60990026
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61139554
N-ethyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 27276320
2-[[2-[(2-bromophenyl)sulfonylamino]acetyl]amino]-N-ethylacetamide
CID 9224655
2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide
CID 79930666
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 47256526
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 47104711
3-[(2-bromophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 103723773
2-[(2-amino-4-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61138984
N-(2-aminoethyl)-2-bromo-N-methylbenzenesulfonamide
CID 62688610

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(2-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide (CID 47256511) is 2-[(2-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(2-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(2-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide?
The InChIKey is BSOTZCBIHAMRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-3-13-11(15)8-14(2)18(16,17)10-7-5-4-6-9(10)12/h4-7H,3,8H2,1-2H3,(H,13,15).
What are the key properties of 2-[(2-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide?
2-[(2-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide 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-[(2-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide is sourced from PubChem (CID 47256511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).