4-(bromomethyl)-N-(2-fluoro-4-methylphenyl)benzenesulfonamide

C14H13BrFNO2S — CID 65480207

IUPAC4-(bromomethyl)-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CBr)cc2)c(F)c1
InChIInChI=1S/C14H13BrFNO2S/c1-10-2-7-14(13(16)8-10)17-20(18,19)12-5-3-11(9-15)4-6-12/h2-8,17H,9H2,1H3
InChIKeyGFQRHGVTPSNJRT-UHFFFAOYSA-N
MW358.23 g/mol
LogP3.83
Rot. Bonds4

About 4-(bromomethyl)-N-(2-fluoro-4-methylphenyl)benzenesulfonamide

4-(bromomethyl)-N-(2-fluoro-4-methylphenyl)benzenesulfonamide (PubChem CID 65480207) has the molecular formula C14H13BrFNO2S and a molecular weight of 358.23 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(2-fluoro-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
PubChem CID65480207
Molecular FormulaC14H13BrFNO2S
Molecular Weight358.23 g/mol
Exact Mass356.98
IUPAC Name4-(bromomethyl)-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CBr)cc2)c(F)c1
InChIInChI=1S/C14H13BrFNO2S/c1-10-2-7-14(13(16)8-10)17-20(18,19)12-5-3-11(9-15)4-6-12/h2-8,17H,9H2,1H3
InChIKeyGFQRHGVTPSNJRT-UHFFFAOYSA-N
XLogP3.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 53.83
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-(2,4-difluorophenyl)benzenesulfonamide
CID 65481199
4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 8523206
4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 65481186
4-ethyl-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 7516558
4-(bromomethyl)-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79771301
4-(bromomethyl)-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 65482623
3-amino-N-(2-fluoro-4-methylphenyl)-5-methylbenzenesulfonamide
CID 43256629
4-amino-3-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 115329584
3-(aminomethyl)-4-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 106031091
N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 845073
4-(bromomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 107629608
N-(2-fluoro-4-methylphenyl)-3-hydroxybenzenesulfonamide
CID 81258256

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(2-fluoro-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-(2-fluoro-4-methylphenyl)benzenesulfonamide (CID 65480207) is 4-(bromomethyl)-N-(2-fluoro-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-(2-fluoro-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-(2-fluoro-4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(CBr)cc2)c(F)c1.
What is the InChIKey of 4-(bromomethyl)-N-(2-fluoro-4-methylphenyl)benzenesulfonamide?
The InChIKey is GFQRHGVTPSNJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2S/c1-10-2-7-14(13(16)8-10)17-20(18,19)12-5-3-11(9-15)4-6-12/h2-8,17H,9H2,1H3.
What are the key properties of 4-(bromomethyl)-N-(2-fluoro-4-methylphenyl)benzenesulfonamide?
4-(bromomethyl)-N-(2-fluoro-4-methylphenyl)benzenesulfonamide has a molecular weight of 358.23 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(2-fluoro-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 65480207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).