2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dichlorophenyl)-N-methylbenzamide

C20H15BrCl2N2O3S — CID 155544296

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dichlorophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H15BrCl2N2O3S/c1-25(19-11-8-14(22)12-17(19)23)20(26)16-4-2-3-5-18(16)24-29(27,28)15-9-6-13(21)7-10-15/h2-12,24H,1H3
InChIKeyBQZSERILUBKJFZ-UHFFFAOYSA-N
MW514.23 g/mol
LogP5.83
Rot. Bonds5

About 2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dichlorophenyl)-N-methylbenzamide

2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dichlorophenyl)-N-methylbenzamide (PubChem CID 155544296) has the molecular formula C20H15BrCl2N2O3S and a molecular weight of 514.23 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dichlorophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dichlorophenyl)-N-methylbenzamide
PubChem CID155544296
Molecular FormulaC20H15BrCl2N2O3S
Molecular Weight514.23 g/mol
Exact Mass511.94
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dichlorophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H15BrCl2N2O3S/c1-25(19-11-8-14(22)12-17(19)23)20(26)16-4-2-3-5-18(16)24-29(27,28)15-9-6-13(21)7-10-15/h2-12,24H,1H3
InChIKeyBQZSERILUBKJFZ-UHFFFAOYSA-N
XLogP5.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.23
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dichlorophenyl)-N-methylbenzamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dichlorophenyl)-N-methylbenzamide (CID 155544296) is 2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dichlorophenyl)-N-methylbenzamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dichlorophenyl)-N-methylbenzamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dichlorophenyl)-N-methylbenzamide is CN(C(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dichlorophenyl)-N-methylbenzamide?
The InChIKey is BQZSERILUBKJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrCl2N2O3S/c1-25(19-11-8-14(22)12-17(19)23)20(26)16-4-2-3-5-18(16)24-29(27,28)15-9-6-13(21)7-10-15/h2-12,24H,1H3.
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dichlorophenyl)-N-methylbenzamide?
2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dichlorophenyl)-N-methylbenzamide has a molecular weight of 514.23 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dichlorophenyl)-N-methylbenzamide is sourced from PubChem (CID 155544296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).