N-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide

C20H17F2NO2S — CID 46022849

IUPACN-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(F)c2)cc1F
InChIInChI=1S/C20H17F2NO2S/c1-15-10-11-18(13-20(15)22)23(14-16-6-3-2-4-7-16)26(24,25)19-9-5-8-17(21)12-19/h2-13H,14H2,1H3
InChIKeyMSNTXXZIDTYDKZ-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.67
Rot. Bonds5

About N-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide

N-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide (PubChem CID 46022849) has the molecular formula C20H17F2NO2S and a molecular weight of 373.42 g/mol. Its IUPAC name is N-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
PubChem CID46022849
Molecular FormulaC20H17F2NO2S
Molecular Weight373.42 g/mol
Exact Mass373.09
IUPAC NameN-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(F)c2)cc1F
InChIInChI=1S/C20H17F2NO2S/c1-15-10-11-18(13-20(15)22)23(14-16-6-3-2-4-7-16)26(24,25)19-9-5-8-17(21)12-19/h2-13H,14H2,1H3
InChIKeyMSNTXXZIDTYDKZ-UHFFFAOYSA-N
XLogP4.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 46023338
3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46023299
N-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 46014799
N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 46021837
N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-3-methoxybenzenesulfonamide
CID 46022930
N-(3-fluoro-4-methylphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 46014788
N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 42841931
3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46023300
N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021763
N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 46152490
N-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)benzenesulfonamide
CID 46152488
N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide
CID 46023035

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide?
The IUPAC name of N-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide (CID 46022849) is N-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide is Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(F)c2)cc1F.
What is the InChIKey of N-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide?
The InChIKey is MSNTXXZIDTYDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO2S/c1-15-10-11-18(13-20(15)22)23(14-16-6-3-2-4-7-16)26(24,25)19-9-5-8-17(21)12-19/h2-13H,14H2,1H3.
What are the key properties of N-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide?
N-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide has a molecular weight of 373.42 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 46022849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).