2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide

C15H14BrClN2O3S — CID 2535186

IUPAC2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C15H14BrClN2O3S/c1-19(23(21,22)14-4-2-3-11(16)9-14)10-15(20)18-13-7-5-12(17)6-8-13/h2-9H,10H2,1H3,(H,18,20)
InChIKeyXDGMQCVZUBUWHD-UHFFFAOYSA-N
MW417.71 g/mol
LogP3.36
Rot. Bonds5

About 2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide

2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide (PubChem CID 2535186) has the molecular formula C15H14BrClN2O3S and a molecular weight of 417.71 g/mol. Its IUPAC name is 2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide
PubChem CID2535186
Molecular FormulaC15H14BrClN2O3S
Molecular Weight417.71 g/mol
Exact Mass415.96
IUPAC Name2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C15H14BrClN2O3S/c1-19(23(21,22)14-4-2-3-11(16)9-14)10-15(20)18-13-7-5-12(17)6-8-13/h2-9H,10H2,1H3,(H,18,20)
InChIKeyXDGMQCVZUBUWHD-UHFFFAOYSA-N
XLogP3.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.71
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 9356234
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 24653479
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 46508678
2-[(3-bromophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 40703932
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dibromophenyl)acetamide
CID 39166749
2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 8816672
N-(4-chlorophenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100530866
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
CID 27364864
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2709966
N-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 2545228
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 94079433

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide (CID 2535186) is 2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide is CN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide?
The InChIKey is XDGMQCVZUBUWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O3S/c1-19(23(21,22)14-4-2-3-11(16)9-14)10-15(20)18-13-7-5-12(17)6-8-13/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of 2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide?
2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide has a molecular weight of 417.71 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 2535186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).