1-anilino-1-(2-fluorophenyl)-N-phenylmethanesulfonamide

C19H17FN2O2S — CID 5078926

IUPAC1-anilino-1-(2-fluorophenyl)-N-phenylmethanesulfonamide
SMILESO=S(=O)(Nc1ccccc1)C(Nc1ccccc1)c1ccccc1F
InChIInChI=1S/C19H17FN2O2S/c20-18-14-8-7-13-17(18)19(21-15-9-3-1-4-10-15)25(23,24)22-16-11-5-2-6-12-16/h1-14,19,21-22H
InChIKeyLMWGKVOPQUUVPR-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.38
Rot. Bonds6

About 1-anilino-1-(2-fluorophenyl)-N-phenylmethanesulfonamide

1-anilino-1-(2-fluorophenyl)-N-phenylmethanesulfonamide (PubChem CID 5078926) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-anilino-1-(2-fluorophenyl)-N-phenylmethanesulfonamide.

Molecular Properties

Compound Name1-anilino-1-(2-fluorophenyl)-N-phenylmethanesulfonamide
PubChem CID5078926
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name1-anilino-1-(2-fluorophenyl)-N-phenylmethanesulfonamide
SMILESO=S(=O)(Nc1ccccc1)C(Nc1ccccc1)c1ccccc1F
InChIInChI=1S/C19H17FN2O2S/c20-18-14-8-7-13-17(18)19(21-15-9-3-1-4-10-15)25(23,24)22-16-11-5-2-6-12-16/h1-14,19,21-22H
InChIKeyLMWGKVOPQUUVPR-UHFFFAOYSA-N
XLogP4.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-((Phenylmethyl)amino)benzenesulfonamide
CID 2755709
US9205085, Msx-183
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1-(Benzylsulfonyl)-4-phenylpiperazine
CID 871639
alpha,alpha'-Bis(4-fluoroanilino)-P-xylene
CID 5218952
N-{3-[benzyl(2-fluorobenzyl)amino]-2-methylphenyl}methanesulfonamide
CID 18511977
N-{3-[benzyl(4-fluorobenzyl)amino]-2-methylphenyl}methanesulfonamide
CID 18512022
N-[3-(dibenzylamino)-2-methylphenyl]-2-propanesulfonamide
CID 18512032
N-[3-(dibenzylamino)-2-methylphenyl]ethanesulfonamide
CID 18512117
N-[3-(dibenzylamino)-2-ethylphenyl]methanesulfonamide
CID 18512161
N-(3-Dibenzylamino-2-methyl-phenyl)-methanesulfonamide
CID 18512166
N-{3-[benzyl(2,4-difluorobenzyl)amino]-2-methylphenyl}methanesulfonamide
CID 18512170
US9205085, Msx-184
CID 23656763

Frequently Asked Questions

What is the IUPAC name of 1-anilino-1-(2-fluorophenyl)-N-phenylmethanesulfonamide?
The IUPAC name of 1-anilino-1-(2-fluorophenyl)-N-phenylmethanesulfonamide (CID 5078926) is 1-anilino-1-(2-fluorophenyl)-N-phenylmethanesulfonamide.
What is the SMILES notation for 1-anilino-1-(2-fluorophenyl)-N-phenylmethanesulfonamide?
The canonical SMILES for 1-anilino-1-(2-fluorophenyl)-N-phenylmethanesulfonamide is O=S(=O)(Nc1ccccc1)C(Nc1ccccc1)c1ccccc1F.
What is the InChIKey of 1-anilino-1-(2-fluorophenyl)-N-phenylmethanesulfonamide?
The InChIKey is LMWGKVOPQUUVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c20-18-14-8-7-13-17(18)19(21-15-9-3-1-4-10-15)25(23,24)22-16-11-5-2-6-12-16/h1-14,19,21-22H.
What are the key properties of 1-anilino-1-(2-fluorophenyl)-N-phenylmethanesulfonamide?
1-anilino-1-(2-fluorophenyl)-N-phenylmethanesulfonamide has a molecular weight of 356.42 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-1-(2-fluorophenyl)-N-phenylmethanesulfonamide is sourced from PubChem (CID 5078926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).