N-[2-(bromomethyl)phenyl]-2-chloro-5-fluorobenzenesulfonamide

C13H10BrClFNO2S — CID 105400700

IUPACN-[2-(bromomethyl)phenyl]-2-chloro-5-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1CBr)c1cc(F)ccc1Cl
InChIInChI=1S/C13H10BrClFNO2S/c14-8-9-3-1-2-4-12(9)17-20(18,19)13-7-10(16)5-6-11(13)15/h1-7,17H,8H2
InChIKeyVNKZFCKVUAWZSU-UHFFFAOYSA-N
MW378.65 g/mol
LogP4.17
Rot. Bonds4

About N-[2-(bromomethyl)phenyl]-2-chloro-5-fluorobenzenesulfonamide

N-[2-(bromomethyl)phenyl]-2-chloro-5-fluorobenzenesulfonamide (PubChem CID 105400700) has the molecular formula C13H10BrClFNO2S and a molecular weight of 378.65 g/mol. Its IUPAC name is N-[2-(bromomethyl)phenyl]-2-chloro-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)phenyl]-2-chloro-5-fluorobenzenesulfonamide
PubChem CID105400700
Molecular FormulaC13H10BrClFNO2S
Molecular Weight378.65 g/mol
Exact Mass376.93
IUPAC NameN-[2-(bromomethyl)phenyl]-2-chloro-5-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1CBr)c1cc(F)ccc1Cl
InChIInChI=1S/C13H10BrClFNO2S/c14-8-9-3-1-2-4-12(9)17-20(18,19)13-7-10(16)5-6-11(13)15/h1-7,17H,8H2
InChIKeyVNKZFCKVUAWZSU-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
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

2-chloro-5-fluoro-N-phenylbenzenesulfonamide
CID 115610692
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400255
2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)benzenesulfonamide
CID 106088506
N-[(2-bromophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 115610877
N-(2-chlorophenyl)-2,5-difluorobenzenesulfonamide
CID 9234601
N-(4-amino-2-chlorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399440
N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610711
N-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 113271462
N-(2-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 47148910
N-(1-bromopropan-2-yl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400691
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
N-[(2-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 105399556

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)phenyl]-2-chloro-5-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(bromomethyl)phenyl]-2-chloro-5-fluorobenzenesulfonamide (CID 105400700) is N-[2-(bromomethyl)phenyl]-2-chloro-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(bromomethyl)phenyl]-2-chloro-5-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(bromomethyl)phenyl]-2-chloro-5-fluorobenzenesulfonamide is O=S(=O)(Nc1ccccc1CBr)c1cc(F)ccc1Cl.
What is the InChIKey of N-[2-(bromomethyl)phenyl]-2-chloro-5-fluorobenzenesulfonamide?
The InChIKey is VNKZFCKVUAWZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO2S/c14-8-9-3-1-2-4-12(9)17-20(18,19)13-7-10(16)5-6-11(13)15/h1-7,17H,8H2.
What are the key properties of N-[2-(bromomethyl)phenyl]-2-chloro-5-fluorobenzenesulfonamide?
N-[2-(bromomethyl)phenyl]-2-chloro-5-fluorobenzenesulfonamide has a molecular weight of 378.65 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)phenyl]-2-chloro-5-fluorobenzenesulfonamide is sourced from PubChem (CID 105400700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).