N-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide

C19H16FNO2S — CID 967232

IUPACN-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccccc1F)c1ccccc1
InChIInChI=1S/C19H16FNO2S/c20-19-14-8-7-9-16(19)15-21(17-10-3-1-4-11-17)24(22,23)18-12-5-2-6-13-18/h1-14H,15H2
InChIKeyCLPKJOVGUJOMBM-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.22
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide

N-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide (PubChem CID 967232) has the molecular formula C19H16FNO2S and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide
PubChem CID967232
Molecular FormulaC19H16FNO2S
Molecular Weight341.41 g/mol
Exact Mass341.09
IUPAC NameN-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccccc1F)c1ccccc1
InChIInChI=1S/C19H16FNO2S/c20-19-14-8-7-9-16(19)15-21(17-10-3-1-4-11-17)24(22,23)18-12-5-2-6-13-18/h1-14H,15H2
InChIKeyCLPKJOVGUJOMBM-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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Related Compounds

N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 42841577
N-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 46152460
N-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 46022862
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 42841700
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-4-nitrobenzenesulfonamide
CID 46022288
4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46152500
N-[4-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfamoyl]phenyl]acetamide
CID 46022588
N-[(5-chloro-2-hydroxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 54532776
N-(3,4-dimethoxyphenyl)-4-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 46022040
N-[(2-fluorophenyl)methyl]-N-prop-2-ynylbenzenesulfonamide
CID 47808296
N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-phenylbenzenesulfonamide
CID 46022863
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 141280156

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide (CID 967232) is N-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccccc1F)c1ccccc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide?
The InChIKey is CLPKJOVGUJOMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2S/c20-19-14-8-7-9-16(19)15-21(17-10-3-1-4-11-17)24(22,23)18-12-5-2-6-13-18/h1-14H,15H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide?
N-[(2-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-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 967232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).