N-benzhydryl-4-fluorobenzenesulfonamide

C19H16FNO2S — CID 602816

IUPACN-benzhydryl-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H16FNO2S/c20-17-11-13-18(14-12-17)24(22,23)21-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,21H
InChIKeyFUBHLJWJTBEEOI-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.89
Rot. Bonds5

About N-benzhydryl-4-fluorobenzenesulfonamide

N-benzhydryl-4-fluorobenzenesulfonamide (PubChem CID 602816) has the molecular formula C19H16FNO2S and a molecular weight of 341.41 g/mol. Its IUPAC name is N-benzhydryl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-benzhydryl-4-fluorobenzenesulfonamide
PubChem CID602816
Molecular FormulaC19H16FNO2S
Molecular Weight341.41 g/mol
Exact Mass341.09
IUPAC NameN-benzhydryl-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H16FNO2S/c20-17-11-13-18(14-12-17)24(22,23)21-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,21H
InChIKeyFUBHLJWJTBEEOI-UHFFFAOYSA-N
XLogP3.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-fluorobenzenesulfonamide?
The IUPAC name of N-benzhydryl-4-fluorobenzenesulfonamide (CID 602816) is N-benzhydryl-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-benzhydryl-4-fluorobenzenesulfonamide?
The canonical SMILES for N-benzhydryl-4-fluorobenzenesulfonamide is O=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-benzhydryl-4-fluorobenzenesulfonamide?
The InChIKey is FUBHLJWJTBEEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2S/c20-17-11-13-18(14-12-17)24(22,23)21-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,21H.
What are the key properties of N-benzhydryl-4-fluorobenzenesulfonamide?
N-benzhydryl-4-fluorobenzenesulfonamide has a molecular weight of 341.41 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 602816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).