N-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-methylbenzenesulfonamide

C20H17F2NO2S — CID 46152667

IUPACN-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(Cc1cccc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C20H17F2NO2S/c1-15-5-2-3-8-20(15)26(24,25)23(19-11-9-17(21)10-12-19)14-16-6-4-7-18(22)13-16/h2-13H,14H2,1H3
InChIKeyAQFQCVGZBOQTNY-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.67
Rot. Bonds5

About N-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-methylbenzenesulfonamide

N-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-methylbenzenesulfonamide (PubChem CID 46152667) has the molecular formula C20H17F2NO2S and a molecular weight of 373.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-methylbenzenesulfonamide
PubChem CID46152667
Molecular FormulaC20H17F2NO2S
Molecular Weight373.42 g/mol
Exact Mass373.09
IUPAC NameN-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(Cc1cccc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C20H17F2NO2S/c1-15-5-2-3-8-20(15)26(24,25)23(19-11-9-17(21)10-12-19)14-16-6-4-7-18(22)13-16/h2-13H,14H2,1H3
InChIKeyAQFQCVGZBOQTNY-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

N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 46022927
2-fluoro-N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 42841727
N-benzyl-5-fluoro-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 46022824
N-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 46023288
N-(4-fluorophenyl)-3-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 42842072
N-[(3,4-dimethoxyphenyl)methyl]-4-fluoro-N-(4-fluorophenyl)-2-methylbenzenesulfonamide
CID 42841963
2-fluoro-N-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 46152535
N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 46021837
N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 46022510
N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021763
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204
N-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 46022849

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-methylbenzenesulfonamide (CID 46152667) is N-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)N(Cc1cccc(F)c1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is AQFQCVGZBOQTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO2S/c1-15-5-2-3-8-20(15)26(24,25)23(19-11-9-17(21)10-12-19)14-16-6-4-7-18(22)13-16/h2-13H,14H2,1H3.
What are the key properties of N-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-methylbenzenesulfonamide?
N-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-methylbenzenesulfonamide 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-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 46152667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).