2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide

C16H16BrClN2O3S — CID 3319937

IUPAC2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16BrClN2O3S/c1-19-16(21)11-20(10-12-2-4-13(17)5-3-12)24(22,23)15-8-6-14(18)7-9-15/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyVRYCLQBPOBADRY-UHFFFAOYSA-N
MW431.74 g/mol
LogP3.04
Rot. Bonds6

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

2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide (PubChem CID 3319937) has the molecular formula C16H16BrClN2O3S and a molecular weight of 431.74 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide
PubChem CID3319937
Molecular FormulaC16H16BrClN2O3S
Molecular Weight431.74 g/mol
Exact Mass429.98
IUPAC Name2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16BrClN2O3S/c1-19-16(21)11-20(10-12-2-4-13(17)5-3-12)24(22,23)15-8-6-14(18)7-9-15/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyVRYCLQBPOBADRY-UHFFFAOYSA-N
XLogP3.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.74
LogP ≤ 53.04
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]-N-methylacetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide (CID 3319937) is 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide is CNC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide?
The InChIKey is VRYCLQBPOBADRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O3S/c1-19-16(21)11-20(10-12-2-4-13(17)5-3-12)24(22,23)15-8-6-14(18)7-9-15/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of 2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide?
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-methylacetamide has a molecular weight of 431.74 g/mol, XLogP of 3.04, 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]-N-methylacetamide is sourced from PubChem (CID 3319937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).