2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide

C15H14BrClN2O3S — CID 1329984

IUPAC2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide
SMILESNC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14BrClN2O3S/c16-12-3-1-11(2-4-12)9-19(10-15(18)20)23(21,22)14-7-5-13(17)6-8-14/h1-8H,9-10H2,(H2,18,20)
InChIKeySHJMEGPNGLKXCO-UHFFFAOYSA-N
MW417.71 g/mol
LogP2.78
Rot. Bonds6

About 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide

2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide (PubChem CID 1329984) has the molecular formula C15H14BrClN2O3S and a molecular weight of 417.71 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide
PubChem CID1329984
Molecular FormulaC15H14BrClN2O3S
Molecular Weight417.71 g/mol
Exact Mass415.96
IUPAC Name2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide
SMILESNC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14BrClN2O3S/c16-12-3-1-11(2-4-12)9-19(10-15(18)20)23(21,22)14-7-5-13(17)6-8-14/h1-8H,9-10H2,(H2,18,20)
InChIKeySHJMEGPNGLKXCO-UHFFFAOYSA-N
XLogP2.78
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.71
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide (CID 1329984) is 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide is NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide?
The InChIKey is SHJMEGPNGLKXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O3S/c16-12-3-1-11(2-4-12)9-19(10-15(18)20)23(21,22)14-7-5-13(17)6-8-14/h1-8H,9-10H2,(H2,18,20).
What are the key properties of 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide?
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide has a molecular weight of 417.71 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 1329984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).