2-[benzenesulfonyl(methyl)amino]-N-(2,5-dibromophenyl)acetamide

C15H14Br2N2O3S — CID 46404289

IUPAC2-[benzenesulfonyl(methyl)amino]-N-(2,5-dibromophenyl)acetamide
SMILESCN(CC(=O)Nc1cc(Br)ccc1Br)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14Br2N2O3S/c1-19(23(21,22)12-5-3-2-4-6-12)10-15(20)18-14-9-11(16)7-8-13(14)17/h2-9H,10H2,1H3,(H,18,20)
InChIKeyIGKGRLTYDWQWFW-UHFFFAOYSA-N
MW462.16 g/mol
LogP3.47
Rot. Bonds5

About 2-[benzenesulfonyl(methyl)amino]-N-(2,5-dibromophenyl)acetamide

2-[benzenesulfonyl(methyl)amino]-N-(2,5-dibromophenyl)acetamide (PubChem CID 46404289) has the molecular formula C15H14Br2N2O3S and a molecular weight of 462.16 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-(2,5-dibromophenyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-(2,5-dibromophenyl)acetamide
PubChem CID46404289
Molecular FormulaC15H14Br2N2O3S
Molecular Weight462.16 g/mol
Exact Mass459.91
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-(2,5-dibromophenyl)acetamide
SMILESCN(CC(=O)Nc1cc(Br)ccc1Br)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14Br2N2O3S/c1-19(23(21,22)12-5-3-2-4-6-12)10-15(20)18-14-9-11(16)7-8-13(14)17/h2-9H,10H2,1H3,(H,18,20)
InChIKeyIGKGRLTYDWQWFW-UHFFFAOYSA-N
XLogP3.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.16
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dibromophenyl)acetamide
CID 39166749
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 1281147
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-ethylsulfonylphenyl)acetamide
CID 55973446
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide
CID 43891619
3-[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]-N-(4-bromophenyl)propanamide
CID 55951462
2-[(3-bromophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 9356234
2-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 26941914
2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide
CID 45371859
2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]butanoic acid
CID 119223647
2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide
CID 2535186
2-[benzenesulfonyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1315546
2-[benzenesulfonyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 45372832

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(2,5-dibromophenyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(2,5-dibromophenyl)acetamide (CID 46404289) is 2-[benzenesulfonyl(methyl)amino]-N-(2,5-dibromophenyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-(2,5-dibromophenyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-(2,5-dibromophenyl)acetamide is CN(CC(=O)Nc1cc(Br)ccc1Br)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-(2,5-dibromophenyl)acetamide?
The InChIKey is IGKGRLTYDWQWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O3S/c1-19(23(21,22)12-5-3-2-4-6-12)10-15(20)18-14-9-11(16)7-8-13(14)17/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-(2,5-dibromophenyl)acetamide?
2-[benzenesulfonyl(methyl)amino]-N-(2,5-dibromophenyl)acetamide has a molecular weight of 462.16 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-(2,5-dibromophenyl)acetamide is sourced from PubChem (CID 46404289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).