N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide

C14H15FN2O3S — CID 43604563

IUPACN-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(N)cc2)cc1F
InChIInChI=1S/C14H15FN2O3S/c1-20-14-7-6-12(8-13(14)15)21(18,19)17-9-10-2-4-11(16)5-3-10/h2-8,17H,9,16H2,1H3
InChIKeySNRNEYKDDDWIIL-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.89
Rot. Bonds5

About N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide

N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide (PubChem CID 43604563) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
PubChem CID43604563
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC NameN-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(N)cc2)cc1F
InChIInChI=1S/C14H15FN2O3S/c1-20-14-7-6-12(8-13(14)15)21(18,19)17-9-10-2-4-11(16)5-3-10/h2-8,17H,9,16H2,1H3
InChIKeySNRNEYKDDDWIIL-UHFFFAOYSA-N
XLogP1.89
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide
CID 110780034
4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 7574386
1-[4-[[(3-fluoro-4-methoxyphenyl)sulfonylamino]methyl]phenyl]-3-propan-2-ylurea
CID 39666239
N-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110780040
3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 4843656
3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37476599
N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide
CID 39380215
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 122252837
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-nitrobenzenesulfonamide
CID 110780059
5-[(4-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 46763335
3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 64912268

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide (CID 43604563) is N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(N)cc2)cc1F.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is SNRNEYKDDDWIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-20-14-7-6-12(8-13(14)15)21(18,19)17-9-10-2-4-11(16)5-3-10/h2-8,17H,9,16H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide?
N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 43604563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).