N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide

C13H11BrFNO2S — CID 18629013

IUPACN-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CBr)cc1)c1ccc(F)cc1
InChIInChI=1S/C13H11BrFNO2S/c14-9-10-1-5-12(6-2-10)16-19(17,18)13-7-3-11(15)4-8-13/h1-8,16H,9H2
InChIKeyYWCQXVIHWNGKOF-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.52
Rot. Bonds4

About N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide

N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide (PubChem CID 18629013) has the molecular formula C13H11BrFNO2S and a molecular weight of 344.21 g/mol. Its IUPAC name is N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide
PubChem CID18629013
Molecular FormulaC13H11BrFNO2S
Molecular Weight344.21 g/mol
Exact Mass342.97
IUPAC NameN-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CBr)cc1)c1ccc(F)cc1
InChIInChI=1S/C13H11BrFNO2S/c14-9-10-1-5-12(6-2-10)16-19(17,18)13-7-3-11(15)4-8-13/h1-8,16H,9H2
InChIKeyYWCQXVIHWNGKOF-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-N-(4-bromophenyl)benzenesulfonamide
CID 65480206
4-bromo-N-[4-(bromomethyl)phenyl]benzenesulfonamide
CID 113271541
4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 65481186
N-[4-(bromomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 114296663
4-(bromomethyl)-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 65482623
4-(bromomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 57017783
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
4-(bromomethyl)-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 65480451
4-(bromomethyl)-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79771301
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide
CID 62306143
4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide
CID 65481199
N-[4-(2-bromoacetyl)phenyl]-4-fluorobenzenesulfonamide
CID 4737379

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide (CID 18629013) is N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(CBr)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is YWCQXVIHWNGKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2S/c14-9-10-1-5-12(6-2-10)16-19(17,18)13-7-3-11(15)4-8-13/h1-8,16H,9H2.
What are the key properties of N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide?
N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide has a molecular weight of 344.21 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 18629013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).