N-[2-(aminomethyl)-3-fluorophenyl]-4-methoxybenzenesulfonamide

C14H15FN2O3S — CID 43580855

IUPACN-[2-(aminomethyl)-3-fluorophenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(F)c2CN)cc1
InChIInChI=1S/C14H15FN2O3S/c1-20-10-5-7-11(8-6-10)21(18,19)17-14-4-2-3-13(15)12(14)9-16/h2-8,17H,9,16H2,1H3
InChIKeyNKJVWUIOLJYWAX-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.09
Rot. Bonds5

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

N-[2-(aminomethyl)-3-fluorophenyl]-4-methoxybenzenesulfonamide (PubChem CID 43580855) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[2-(aminomethyl)-3-fluorophenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-3-fluorophenyl]-4-methoxybenzenesulfonamide
PubChem CID43580855
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC NameN-[2-(aminomethyl)-3-fluorophenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(F)c2CN)cc1
InChIInChI=1S/C14H15FN2O3S/c1-20-10-5-7-11(8-6-10)21(18,19)17-14-4-2-3-13(15)12(14)9-16/h2-8,17H,9,16H2,1H3
InChIKeyNKJVWUIOLJYWAX-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
N-[2-(aminomethyl)-3-methylphenyl]-4-fluorobenzenesulfonamide
CID 107802338
2-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid
CID 70053519
N-[4,5-difluoro-2-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 67653567
N-[4-(2,6-difluoroanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112990245
N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 2025854
3-(aminomethyl)-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 28718355
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720
4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride
CID 172999625
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide
CID 15294855
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294862

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-3-fluorophenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(aminomethyl)-3-fluorophenyl]-4-methoxybenzenesulfonamide (CID 43580855) is N-[2-(aminomethyl)-3-fluorophenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)-3-fluorophenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)-3-fluorophenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(F)c2CN)cc1.
What is the InChIKey of N-[2-(aminomethyl)-3-fluorophenyl]-4-methoxybenzenesulfonamide?
The InChIKey is NKJVWUIOLJYWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-20-10-5-7-11(8-6-10)21(18,19)17-14-4-2-3-13(15)12(14)9-16/h2-8,17H,9,16H2,1H3.
What are the key properties of N-[2-(aminomethyl)-3-fluorophenyl]-4-methoxybenzenesulfonamide?
N-[2-(aminomethyl)-3-fluorophenyl]-4-methoxybenzenesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-3-fluorophenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 43580855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).