3-fluoro-N-[(4-fluorophenyl)-phenylmethyl]-N,2-dimethylbenzenesulfonamide

C21H19F2NO2S — CID 139014948

IUPAC3-fluoro-N-[(4-fluorophenyl)-phenylmethyl]-N,2-dimethylbenzenesulfonamide
SMILESCc1c(F)cccc1S(=O)(=O)N(C)C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H19F2NO2S/c1-15-19(23)9-6-10-20(15)27(25,26)24(2)21(16-7-4-3-5-8-16)17-11-13-18(22)14-12-17/h3-14,21H,1-2H3
InChIKeyLEMYELKNJVFLJH-UHFFFAOYSA-N
MW387.45 g/mol
LogP4.68
Rot. Bonds5

About 3-fluoro-N-[(4-fluorophenyl)-phenylmethyl]-N,2-dimethylbenzenesulfonamide

3-fluoro-N-[(4-fluorophenyl)-phenylmethyl]-N,2-dimethylbenzenesulfonamide (PubChem CID 139014948) has the molecular formula C21H19F2NO2S and a molecular weight of 387.45 g/mol. Its IUPAC name is 3-fluoro-N-[(4-fluorophenyl)-phenylmethyl]-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(4-fluorophenyl)-phenylmethyl]-N,2-dimethylbenzenesulfonamide
PubChem CID139014948
Molecular FormulaC21H19F2NO2S
Molecular Weight387.45 g/mol
Exact Mass387.11
IUPAC Name3-fluoro-N-[(4-fluorophenyl)-phenylmethyl]-N,2-dimethylbenzenesulfonamide
SMILESCc1c(F)cccc1S(=O)(=O)N(C)C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H19F2NO2S/c1-15-19(23)9-6-10-20(15)27(25,26)24(2)21(16-7-4-3-5-8-16)17-11-13-18(22)14-12-17/h3-14,21H,1-2H3
InChIKeyLEMYELKNJVFLJH-UHFFFAOYSA-N
XLogP4.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(4-fluorophenyl)-phenylmethyl]-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 3-fluoro-N-[(4-fluorophenyl)-phenylmethyl]-N,2-dimethylbenzenesulfonamide (CID 139014948) is 3-fluoro-N-[(4-fluorophenyl)-phenylmethyl]-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[(4-fluorophenyl)-phenylmethyl]-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[(4-fluorophenyl)-phenylmethyl]-N,2-dimethylbenzenesulfonamide is Cc1c(F)cccc1S(=O)(=O)N(C)C(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-fluoro-N-[(4-fluorophenyl)-phenylmethyl]-N,2-dimethylbenzenesulfonamide?
The InChIKey is LEMYELKNJVFLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO2S/c1-15-19(23)9-6-10-20(15)27(25,26)24(2)21(16-7-4-3-5-8-16)17-11-13-18(22)14-12-17/h3-14,21H,1-2H3.
What are the key properties of 3-fluoro-N-[(4-fluorophenyl)-phenylmethyl]-N,2-dimethylbenzenesulfonamide?
3-fluoro-N-[(4-fluorophenyl)-phenylmethyl]-N,2-dimethylbenzenesulfonamide has a molecular weight of 387.45 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(4-fluorophenyl)-phenylmethyl]-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 139014948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).