N-(4-bromo-2-fluorophenyl)-4-(cyanomethyl)benzenesulfonamide

C14H10BrFN2O2S — CID 79186703

IUPACN-(4-bromo-2-fluorophenyl)-4-(cyanomethyl)benzenesulfonamide
SMILESN#CCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C14H10BrFN2O2S/c15-11-3-6-14(13(16)9-11)18-21(19,20)12-4-1-10(2-5-12)7-8-17/h1-6,9,18H,7H2
InChIKeyLWAXAEVSBBACDX-UHFFFAOYSA-N
MW369.22 g/mol
LogP3.46
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-4-(cyanomethyl)benzenesulfonamide

N-(4-bromo-2-fluorophenyl)-4-(cyanomethyl)benzenesulfonamide (PubChem CID 79186703) has the molecular formula C14H10BrFN2O2S and a molecular weight of 369.22 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-(cyanomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-(cyanomethyl)benzenesulfonamide
PubChem CID79186703
Molecular FormulaC14H10BrFN2O2S
Molecular Weight369.22 g/mol
Exact Mass367.96
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-(cyanomethyl)benzenesulfonamide
SMILESN#CCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C14H10BrFN2O2S/c15-11-3-6-14(13(16)9-11)18-21(19,20)12-4-1-10(2-5-12)7-8-17/h1-6,9,18H,7H2
InChIKeyLWAXAEVSBBACDX-UHFFFAOYSA-N
XLogP3.46
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-4-(cyanomethyl)benzenesulfonamide
CID 79186001
N-(5-amino-2-fluorophenyl)-4-(cyanomethyl)benzenesulfonamide
CID 79185246
N-(4-amino-2-chlorophenyl)-4-(cyanomethyl)benzenesulfonamide
CID 79185250
N-[4-(cyanomethyl)-2-fluorophenyl]methanesulfonamide
CID 91179727
N-(2-bromo-3-chlorophenyl)-4-(cyanomethyl)benzenesulfonamide
CID 103479577
4-(cyanomethyl)-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 79185670
N-[5-cyano-2-(ethylamino)phenyl]-4-(cyanomethyl)benzenesulfonamide
CID 71852673
4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide
CID 65481199
3-amino-N-(4-bromo-2-fluorophenyl)-4-hydroxybenzenesulfonamide
CID 29040272
N-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide
CID 28829056
4-(cyanomethyl)-N-(2-iodophenyl)benzenesulfonamide
CID 79185029
4-(bromomethyl)-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 65480207

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(cyanomethyl)benzenesulfonamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(cyanomethyl)benzenesulfonamide (CID 79186703) is N-(4-bromo-2-fluorophenyl)-4-(cyanomethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-(cyanomethyl)benzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-(cyanomethyl)benzenesulfonamide is N#CCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-(cyanomethyl)benzenesulfonamide?
The InChIKey is LWAXAEVSBBACDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O2S/c15-11-3-6-14(13(16)9-11)18-21(19,20)12-4-1-10(2-5-12)7-8-17/h1-6,9,18H,7H2.
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-(cyanomethyl)benzenesulfonamide?
N-(4-bromo-2-fluorophenyl)-4-(cyanomethyl)benzenesulfonamide has a molecular weight of 369.22 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-(cyanomethyl)benzenesulfonamide is sourced from PubChem (CID 79186703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).