1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide

C14H14BrFN2O2S — CID 106087470

IUPAC1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide
SMILESNCc1cccc(CS(=O)(=O)Nc2cc(F)ccc2Br)c1
InChIInChI=1S/C14H14BrFN2O2S/c15-13-5-4-12(16)7-14(13)18-21(19,20)9-11-3-1-2-10(6-11)8-17/h1-7,18H,8-9,17H2
InChIKeyUAGZFDGZEDMECH-UHFFFAOYSA-N
MW373.25 g/mol
LogP2.99
Rot. Bonds5

About 1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide

1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide (PubChem CID 106087470) has the molecular formula C14H14BrFN2O2S and a molecular weight of 373.25 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide
PubChem CID106087470
Molecular FormulaC14H14BrFN2O2S
Molecular Weight373.25 g/mol
Exact Mass371.99
IUPAC Name1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide
SMILESNCc1cccc(CS(=O)(=O)Nc2cc(F)ccc2Br)c1
InChIInChI=1S/C14H14BrFN2O2S/c15-13-5-4-12(16)7-14(13)18-21(19,20)9-11-3-1-2-10(6-11)8-17/h1-7,18H,8-9,17H2
InChIKeyUAGZFDGZEDMECH-UHFFFAOYSA-N
XLogP2.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)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-[3-(aminomethyl)phenyl]-N-(2-bromo-5-methylphenyl)methanesulfonamide
CID 106076529
3-(aminomethyl)-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 106087505
1-(4-aminophenyl)-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 107624704
1-bromo-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 107629618
N-(2-bromo-4-fluorophenyl)-1-phenylmethanesulfonamide
CID 28939221
1-[4-(aminomethyl)phenyl]-N-(2-bromophenyl)methanesulfonamide
CID 106061234
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
1-[3-(aminomethyl)phenyl]-N-(2,5-dichlorophenyl)methanesulfonamide
CID 106037003
2-[(2-bromo-5-fluorophenyl)sulfamoyl]ethanethioamide
CID 107626087
1-[3-(aminomethyl)phenyl]-N-(2-chloro-6-fluorophenyl)methanesulfonamide
CID 106083603
1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide
CID 106070788
5-(aminomethyl)-N-(2-bromo-5-fluorophenyl)pyridine-2-sulfonamide
CID 106087539

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide (CID 106087470) is 1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide is NCc1cccc(CS(=O)(=O)Nc2cc(F)ccc2Br)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide?
The InChIKey is UAGZFDGZEDMECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2S/c15-13-5-4-12(16)7-14(13)18-21(19,20)9-11-3-1-2-10(6-11)8-17/h1-7,18H,8-9,17H2.
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide?
1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide has a molecular weight of 373.25 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 106087470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).