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

C13H10BrClFNO2S — CID 2988463

IUPACN-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H10BrClFNO2S/c14-10-5-6-13(12(16)7-10)17-20(18,19)8-9-3-1-2-4-11(9)15/h1-7,17H,8H2
InChIKeyPHDBTOPHYRIRIE-UHFFFAOYSA-N
MW378.65 g/mol
LogP4.18
Rot. Bonds4

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

N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide (PubChem CID 2988463) has the molecular formula C13H10BrClFNO2S and a molecular weight of 378.65 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide
PubChem CID2988463
Molecular FormulaC13H10BrClFNO2S
Molecular Weight378.65 g/mol
Exact Mass376.93
IUPAC NameN-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H10BrClFNO2S/c14-10-5-6-13(12(16)7-10)17-20(18,19)8-9-3-1-2-4-11(9)15/h1-7,17H,8H2
InChIKeyPHDBTOPHYRIRIE-UHFFFAOYSA-N
XLogP4.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.65
LogP ≤ 54.18
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-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide (CID 2988463) is N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide?
The InChIKey is PHDBTOPHYRIRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO2S/c14-10-5-6-13(12(16)7-10)17-20(18,19)8-9-3-1-2-4-11(9)15/h1-7,17H,8H2.
What are the key properties of N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide?
N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide has a molecular weight of 378.65 g/mol, XLogP of 4.18, 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-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 2988463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).