N-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)methanesulfonamide

C13H10BrCl2NO2S — CID 17312259

IUPACN-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C13H10BrCl2NO2S/c14-10-3-6-13(12(16)7-10)17-20(18,19)8-9-1-4-11(15)5-2-9/h1-7,17H,8H2
InChIKeyMKCSJQYGECIBJP-UHFFFAOYSA-N
MW395.11 g/mol
LogP4.70
Rot. Bonds4

About N-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)methanesulfonamide

N-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)methanesulfonamide (PubChem CID 17312259) has the molecular formula C13H10BrCl2NO2S and a molecular weight of 395.11 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)methanesulfonamide
PubChem CID17312259
Molecular FormulaC13H10BrCl2NO2S
Molecular Weight395.11 g/mol
Exact Mass392.90
IUPAC NameN-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C13H10BrCl2NO2S/c14-10-3-6-13(12(16)7-10)17-20(18,19)8-9-1-4-11(15)5-2-9/h1-7,17H,8H2
InChIKeyMKCSJQYGECIBJP-UHFFFAOYSA-N
XLogP4.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.11
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)methanesulfonamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)methanesulfonamide (CID 17312259) is N-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)methanesulfonamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)methanesulfonamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)methanesulfonamide is O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)methanesulfonamide?
The InChIKey is MKCSJQYGECIBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO2S/c14-10-3-6-13(12(16)7-10)17-20(18,19)8-9-1-4-11(15)5-2-9/h1-7,17H,8H2.
What are the key properties of N-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)methanesulfonamide?
N-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)methanesulfonamide has a molecular weight of 395.11 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 17312259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).