2-fluoro-N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide

C19H14F3NO2S — CID 42841727

IUPAC2-fluoro-N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1F)N(Cc1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C19H14F3NO2S/c20-15-6-3-5-14(11-15)13-23(17-8-4-7-16(21)12-17)26(24,25)19-10-2-1-9-18(19)22/h1-12H,13H2
InChIKeyRDWHBSFSDUUVSK-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.50
Rot. Bonds5

About 2-fluoro-N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide

2-fluoro-N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 42841727) has the molecular formula C19H14F3NO2S and a molecular weight of 377.39 g/mol. Its IUPAC name is 2-fluoro-N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide
PubChem CID42841727
Molecular FormulaC19H14F3NO2S
Molecular Weight377.39 g/mol
Exact Mass377.07
IUPAC Name2-fluoro-N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1F)N(Cc1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C19H14F3NO2S/c20-15-6-3-5-14(11-15)13-23(17-8-4-7-16(21)12-17)26(24,25)19-10-2-1-9-18(19)22/h1-12H,13H2
InChIKeyRDWHBSFSDUUVSK-UHFFFAOYSA-N
XLogP4.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 46152535
N-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-methylbenzenesulfonamide
CID 46152667
N-[(3-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 46022927
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-[(2,4-difluorophenyl)methyl]-2-fluoro-N-(3-methylphenyl)benzenesulfonamide
CID 46022344
3-chloro-N-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 46023259
N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022383
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-(3-bromophenyl)-2-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 46022691

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide (CID 42841727) is 2-fluoro-N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide is O=S(=O)(c1ccccc1F)N(Cc1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of 2-fluoro-N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is RDWHBSFSDUUVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO2S/c20-15-6-3-5-14(11-15)13-23(17-8-4-7-16(21)12-17)26(24,25)19-10-2-1-9-18(19)22/h1-12H,13H2.
What are the key properties of 2-fluoro-N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
2-fluoro-N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 377.39 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 42841727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).