4-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide

C14H15FN2O3S — CID 43258744

IUPAC4-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NCc1cccc(F)c1
InChIInChI=1S/C14H15FN2O3S/c1-20-13-8-12(16)5-6-14(13)21(18,19)17-9-10-3-2-4-11(15)7-10/h2-8,17H,9,16H2,1H3
InChIKeyLWBNFELIXWNCLI-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.89
Rot. Bonds5

About 4-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide

4-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide (PubChem CID 43258744) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
PubChem CID43258744
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name4-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NCc1cccc(F)c1
InChIInChI=1S/C14H15FN2O3S/c1-20-13-8-12(16)5-6-14(13)21(18,19)17-9-10-3-2-4-11(15)7-10/h2-8,17H,9,16H2,1H3
InChIKeyLWBNFELIXWNCLI-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 43256679
4-amino-2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 62996892
5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 53288976
4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide
CID 113303531
2-amino-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 28970037
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
N-benzyl-2-methoxy-4-methylbenzenesulfonamide
CID 801458
N-[(3-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 75509038
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
N-[(3-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 81241692
4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106840223

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide (CID 43258744) is 4-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)NCc1cccc(F)c1.
What is the InChIKey of 4-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide?
The InChIKey is LWBNFELIXWNCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-20-13-8-12(16)5-6-14(13)21(18,19)17-9-10-3-2-4-11(15)7-10/h2-8,17H,9,16H2,1H3.
What are the key properties of 4-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide?
4-amino-N-[(3-fluorophenyl)methyl]-2-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 4-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 43258744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).