N-[(3-fluorophenyl)methyl]-N-phenylbenzenesulfonamide

C19H16FNO2S — CID 2853015

IUPACN-[(3-fluorophenyl)methyl]-N-phenylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C19H16FNO2S/c20-17-9-7-8-16(14-17)15-21(18-10-3-1-4-11-18)24(22,23)19-12-5-2-6-13-19/h1-14H,15H2
InChIKeyIHSHLDWVRUVZQV-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.22
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-N-phenylbenzenesulfonamide

N-[(3-fluorophenyl)methyl]-N-phenylbenzenesulfonamide (PubChem CID 2853015) has the molecular formula C19H16FNO2S and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-phenylbenzenesulfonamide
PubChem CID2853015
Molecular FormulaC19H16FNO2S
Molecular Weight341.41 g/mol
Exact Mass341.09
IUPAC NameN-[(3-fluorophenyl)methyl]-N-phenylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C19H16FNO2S/c20-17-9-7-8-16(14-17)15-21(18-10-3-1-4-11-18)24(22,23)19-12-5-2-6-13-19/h1-14H,15H2
InChIKeyIHSHLDWVRUVZQV-UHFFFAOYSA-N
XLogP4.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-phenylbenzenesulfonamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-phenylbenzenesulfonamide (CID 2853015) is N-[(3-fluorophenyl)methyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-phenylbenzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1cccc(F)c1)c1ccccc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-phenylbenzenesulfonamide?
The InChIKey is IHSHLDWVRUVZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2S/c20-17-9-7-8-16(14-17)15-21(18-10-3-1-4-11-18)24(22,23)19-12-5-2-6-13-19/h1-14H,15H2.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-phenylbenzenesulfonamide?
N-[(3-fluorophenyl)methyl]-N-phenylbenzenesulfonamide has a molecular weight of 341.41 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 2853015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).