2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]aniline

C14H14FNO3S — CID 102878450

IUPAC2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]aniline
SMILESCOc1ccc(CS(=O)(=O)c2ccccc2N)c(F)c1
InChIInChI=1S/C14H14FNO3S/c1-19-11-7-6-10(12(15)8-11)9-20(17,18)14-5-3-2-4-13(14)16/h2-8H,9,16H2,1H3
InChIKeyOUZOKXMCUKMPAP-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.39
Rot. Bonds4

About 2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]aniline

2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]aniline (PubChem CID 102878450) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]aniline.

Molecular Properties

Compound Name2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]aniline
PubChem CID102878450
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC Name2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]aniline
SMILESCOc1ccc(CS(=O)(=O)c2ccccc2N)c(F)c1
InChIInChI=1S/C14H14FNO3S/c1-19-11-7-6-10(12(15)8-11)9-20(17,18)14-5-3-2-4-13(14)16/h2-8H,9,16H2,1H3
InChIKeyOUZOKXMCUKMPAP-UHFFFAOYSA-N
XLogP2.39
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]pyridin-3-amine
CID 102878458
3-bromo-4-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]aniline
CID 102880035
4-[(2-aminophenyl)sulfonylmethyl]-3-fluorobenzonitrile
CID 61369516
2-[(2,4-dichlorophenyl)methylsulfonyl]-4-methoxyaniline
CID 81201299
2-[(2,3-difluorophenyl)methylsulfonyl]aniline
CID 61366847
2-[(2-amino-5-methoxyphenyl)sulfonylmethyl]benzonitrile
CID 81201156
2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 28590092
1-fluoro-4-methoxy-2-(methylsulfonylmethyl)benzene
CID 130132950
5-fluoro-2-[(2-methylphenyl)sulfonylmethyl]aniline
CID 64769198
2-fluoro-4-methoxyaniline
CID 3756383
2-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 102877712
(2-amino-4-methoxyphenyl)methanesulfonic acid
CID 154180225

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]aniline?
The IUPAC name of 2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]aniline (CID 102878450) is 2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]aniline.
What is the SMILES notation for 2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]aniline?
The canonical SMILES for 2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]aniline is COc1ccc(CS(=O)(=O)c2ccccc2N)c(F)c1.
What is the InChIKey of 2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]aniline?
The InChIKey is OUZOKXMCUKMPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-19-11-7-6-10(12(15)8-11)9-20(17,18)14-5-3-2-4-13(14)16/h2-8H,9,16H2,1H3.
What are the key properties of 2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]aniline?
2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]aniline has a molecular weight of 295.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]aniline is sourced from PubChem (CID 102878450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).