2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dibromophenyl)acetamide

C15H13Br2ClN2O3S — CID 39166749

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dibromophenyl)acetamide
SMILESCN(CC(=O)Nc1cc(Br)ccc1Br)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Br2ClN2O3S/c1-20(24(22,23)12-5-3-11(18)4-6-12)9-15(21)19-14-8-10(16)2-7-13(14)17/h2-8H,9H2,1H3,(H,19,21)
InChIKeyUVOSNVUMNRPUNA-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.12
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dibromophenyl)acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dibromophenyl)acetamide (PubChem CID 39166749) has the molecular formula C15H13Br2ClN2O3S and a molecular weight of 496.61 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dibromophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dibromophenyl)acetamide
PubChem CID39166749
Molecular FormulaC15H13Br2ClN2O3S
Molecular Weight496.61 g/mol
Exact Mass493.87
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dibromophenyl)acetamide
SMILESCN(CC(=O)Nc1cc(Br)ccc1Br)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Br2ClN2O3S/c1-20(24(22,23)12-5-3-11(18)4-6-12)9-15(21)19-14-8-10(16)2-7-13(14)17/h2-8H,9H2,1H3,(H,19,21)
InChIKeyUVOSNVUMNRPUNA-UHFFFAOYSA-N
XLogP4.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-(2,5-dibromophenyl)acetamide
CID 46404289
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
CID 1330087
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 1281147
2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide
CID 2535186
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
CID 1329391
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2709829
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 26714215
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide
CID 38923929
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 7370786
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-ethylsulfonylphenyl)acetamide
CID 55973446
N-[5-chloro-2-(dimethylamino)phenyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 55549796

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dibromophenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dibromophenyl)acetamide (CID 39166749) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dibromophenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dibromophenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dibromophenyl)acetamide is CN(CC(=O)Nc1cc(Br)ccc1Br)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dibromophenyl)acetamide?
The InChIKey is UVOSNVUMNRPUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClN2O3S/c1-20(24(22,23)12-5-3-11(18)4-6-12)9-15(21)19-14-8-10(16)2-7-13(14)17/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dibromophenyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dibromophenyl)acetamide has a molecular weight of 496.61 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dibromophenyl)acetamide is sourced from PubChem (CID 39166749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).