1-[4-(aminomethyl)phenyl]-N-(3-bromo-2-pyridinyl)methanesulfonamide

C13H14BrN3O2S — CID 106062175

IUPAC1-[4-(aminomethyl)phenyl]-N-(3-bromo-2-pyridinyl)methanesulfonamide
SMILESNCc1ccc(CS(=O)(=O)Nc2ncccc2Br)cc1
InChIInChI=1S/C13H14BrN3O2S/c14-12-2-1-7-16-13(12)17-20(18,19)9-11-5-3-10(8-15)4-6-11/h1-7H,8-9,15H2,(H,16,17)
InChIKeyRXRXIWOKAIPIPO-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.24
Rot. Bonds5

About 1-[4-(aminomethyl)phenyl]-N-(3-bromo-2-pyridinyl)methanesulfonamide

1-[4-(aminomethyl)phenyl]-N-(3-bromo-2-pyridinyl)methanesulfonamide (PubChem CID 106062175) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-N-(3-bromo-2-pyridinyl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-N-(3-bromo-2-pyridinyl)methanesulfonamide
PubChem CID106062175
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name1-[4-(aminomethyl)phenyl]-N-(3-bromo-2-pyridinyl)methanesulfonamide
SMILESNCc1ccc(CS(=O)(=O)Nc2ncccc2Br)cc1
InChIInChI=1S/C13H14BrN3O2S/c14-12-2-1-7-16-13(12)17-20(18,19)9-11-5-3-10(8-15)4-6-11/h1-7H,8-9,15H2,(H,16,17)
InChIKeyRXRXIWOKAIPIPO-UHFFFAOYSA-N
XLogP2.24
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(aminomethyl)phenyl]-N-(3-bromo-2-pyridinyl)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-(aminomethyl)phenyl]-N-(2-bromophenyl)methanesulfonamide
CID 106061234
1-[3-(aminomethyl)phenyl]-N-(3-methyl-2-pyridinyl)methanesulfonamide
CID 60978443
5-(aminomethyl)-2-bromo-N-(3-bromo-2-pyridinyl)furan-3-sulfonamide
CID 106062158
4-(aminomethyl)-N-(3-bromo-2-pyridinyl)piperidine-1-sulfonamide
CID 106062105
4-(aminomethyl)-N-(3-bromo-2-pyridinyl)-3-chlorobenzenesulfonamide
CID 106062257
N-(3-bromo-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide
CID 106062119
N-(3-bromo-2-pyridinyl)-4-(propylamino)butane-1-sulfonamide
CID 106062206
N-[3-(aminomethyl)-2-pyridinyl]ethanesulfonamide
CID 66677968
2-bromo-N-(3-bromo-2-pyridinyl)-6-chlorobenzenesulfonamide
CID 114269290
1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide
CID 106070788
1-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)methanesulfonamide
CID 29291585
3-(aminomethyl)-N-(3-bromo-2-pyridinyl)-4-chloro-5-fluorobenzenesulfonamide
CID 106062235

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(3-bromo-2-pyridinyl)methanesulfonamide?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(3-bromo-2-pyridinyl)methanesulfonamide (CID 106062175) is 1-[4-(aminomethyl)phenyl]-N-(3-bromo-2-pyridinyl)methanesulfonamide.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-N-(3-bromo-2-pyridinyl)methanesulfonamide?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-N-(3-bromo-2-pyridinyl)methanesulfonamide is NCc1ccc(CS(=O)(=O)Nc2ncccc2Br)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-N-(3-bromo-2-pyridinyl)methanesulfonamide?
The InChIKey is RXRXIWOKAIPIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c14-12-2-1-7-16-13(12)17-20(18,19)9-11-5-3-10(8-15)4-6-11/h1-7H,8-9,15H2,(H,16,17).
What are the key properties of 1-[4-(aminomethyl)phenyl]-N-(3-bromo-2-pyridinyl)methanesulfonamide?
1-[4-(aminomethyl)phenyl]-N-(3-bromo-2-pyridinyl)methanesulfonamide has a molecular weight of 356.25 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-N-(3-bromo-2-pyridinyl)methanesulfonamide is sourced from PubChem (CID 106062175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).