N-(2-bromo-4-fluorophenyl)-1-phenylmethanesulfonamide

C13H11BrFNO2S — CID 28939221

IUPACN-(2-bromo-4-fluorophenyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccc(F)cc1Br
InChIInChI=1S/C13H11BrFNO2S/c14-12-8-11(15)6-7-13(12)16-19(17,18)9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChIKeyHRCRFAQQZXCCGX-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.53
Rot. Bonds4

About N-(2-bromo-4-fluorophenyl)-1-phenylmethanesulfonamide

N-(2-bromo-4-fluorophenyl)-1-phenylmethanesulfonamide (PubChem CID 28939221) has the molecular formula C13H11BrFNO2S and a molecular weight of 344.21 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-1-phenylmethanesulfonamide
PubChem CID28939221
Molecular FormulaC13H11BrFNO2S
Molecular Weight344.21 g/mol
Exact Mass342.97
IUPAC NameN-(2-bromo-4-fluorophenyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccc(F)cc1Br
InChIInChI=1S/C13H11BrFNO2S/c14-12-8-11(15)6-7-13(12)16-19(17,18)9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChIKeyHRCRFAQQZXCCGX-UHFFFAOYSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide
CID 103580549
N-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 107592640
N-(2-fluorophenyl)-1-phenylmethanesulfonamide
CID 669256
1-(4-aminophenyl)-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 107624704
1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 106087470
N-(4-bromo-3-fluorophenyl)-1-phenylmethanesulfonamide
CID 65430137
N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220
2-(benzylsulfonylamino)-5-bromobenzoic acid
CID 45297744
N-(3,4-difluoro-2-hydroxyphenyl)-1-phenylmethanesulfonamide
CID 69009630
1-[4-(aminomethyl)phenyl]-N-(2-bromophenyl)methanesulfonamide
CID 106061234
N-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanesulfonamide
CID 17374357
N-(2-bromo-4-chlorophenyl)-2-phenylethanesulfonamide
CID 80970637

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-1-phenylmethanesulfonamide (CID 28939221) is N-(2-bromo-4-fluorophenyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1ccc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-1-phenylmethanesulfonamide?
The InChIKey is HRCRFAQQZXCCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2S/c14-12-8-11(15)6-7-13(12)16-19(17,18)9-10-4-2-1-3-5-10/h1-8,16H,9H2.
What are the key properties of N-(2-bromo-4-fluorophenyl)-1-phenylmethanesulfonamide?
N-(2-bromo-4-fluorophenyl)-1-phenylmethanesulfonamide has a molecular weight of 344.21 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 28939221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).