1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide

C14H14F2N2O2S — CID 63796032

IUPAC1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
SMILESNc1ccc(CS(=O)(=O)NCc2cc(F)ccc2F)cc1
InChIInChI=1S/C14H14F2N2O2S/c15-12-3-6-14(16)11(7-12)8-18-21(19,20)9-10-1-4-13(17)5-2-10/h1-7,18H,8-9,17H2
InChIKeyRXVKQUNCXUOZPS-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.17
Rot. Bonds5

About 1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide

1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide (PubChem CID 63796032) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
PubChem CID63796032
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC Name1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
SMILESNc1ccc(CS(=O)(=O)NCc2cc(F)ccc2F)cc1
InChIInChI=1S/C14H14F2N2O2S/c15-12-3-6-14(16)11(7-12)8-18-21(19,20)9-10-1-4-13(17)5-2-10/h1-7,18H,8-9,17H2
InChIKeyRXVKQUNCXUOZPS-UHFFFAOYSA-N
XLogP2.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 110780997
1-(2-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 110780996
1-(4-aminophenyl)-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 107624704
N-[(2,5-difluorophenyl)methyl]butane-1-sulfonamide
CID 110780977
N-[(2,5-difluorophenyl)methyl]-2-(propylamino)ethanesulfonamide
CID 106065163
N-[(2-fluorophenyl)methyl]-1-phenylmethanesulfonamide
CID 7034179
4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110780979
N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110779627
1-(4-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 30056935
N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110780743
1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
CID 61107643
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine
CID 111901875

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide (CID 63796032) is 1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide is Nc1ccc(CS(=O)(=O)NCc2cc(F)ccc2F)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide?
The InChIKey is RXVKQUNCXUOZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c15-12-3-6-14(16)11(7-12)8-18-21(19,20)9-10-1-4-13(17)5-2-10/h1-7,18H,8-9,17H2.
What are the key properties of 1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide?
1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide has a molecular weight of 312.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide is sourced from PubChem (CID 63796032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).