5-(aminomethyl)-N-(2-bromo-5-fluorophenyl)pyridine-2-sulfonamide

C12H11BrFN3O2S — CID 106087539

IUPAC5-(aminomethyl)-N-(2-bromo-5-fluorophenyl)pyridine-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2cc(F)ccc2Br)nc1
InChIInChI=1S/C12H11BrFN3O2S/c13-10-3-2-9(14)5-11(10)17-20(18,19)12-4-1-8(6-15)7-16-12/h1-5,7,17H,6,15H2
InChIKeySAYMWBILAQJMQY-UHFFFAOYSA-N
MW360.21 g/mol
LogP2.24
Rot. Bonds4

About 5-(aminomethyl)-N-(2-bromo-5-fluorophenyl)pyridine-2-sulfonamide

5-(aminomethyl)-N-(2-bromo-5-fluorophenyl)pyridine-2-sulfonamide (PubChem CID 106087539) has the molecular formula C12H11BrFN3O2S and a molecular weight of 360.21 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-bromo-5-fluorophenyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-bromo-5-fluorophenyl)pyridine-2-sulfonamide
PubChem CID106087539
Molecular FormulaC12H11BrFN3O2S
Molecular Weight360.21 g/mol
Exact Mass358.97
IUPAC Name5-(aminomethyl)-N-(2-bromo-5-fluorophenyl)pyridine-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2cc(F)ccc2Br)nc1
InChIInChI=1S/C12H11BrFN3O2S/c13-10-3-2-9(14)5-11(10)17-20(18,19)12-4-1-8(6-15)7-16-12/h1-5,7,17H,6,15H2
InChIKeySAYMWBILAQJMQY-UHFFFAOYSA-N
XLogP2.24
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(5-bromo-2,4-difluorophenyl)pyridine-2-sulfonamide
CID 106087059
5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)pyridine-2-sulfonamide
CID 106002333
3-(aminomethyl)-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 106087505
5-(aminomethyl)-N-(2,4,5-trichlorophenyl)pyridine-2-sulfonamide
CID 106057739
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)pyridine-2-sulfonamide
CID 106070858
4-(aminomethyl)-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
CID 106007285
4-amino-N-(2-bromo-5-fluorophenyl)pyridine-3-sulfonamide
CID 107630755
5-(aminomethyl)-N-(2-chloro-5-methylphenyl)pyridine-2-sulfonamide
CID 106087649
1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 106087470
N-(2-bromo-5-fluorophenyl)-1-ethylimidazole-4-sulfonamide
CID 103752880
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide
CID 107640872

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-bromo-5-fluorophenyl)pyridine-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-bromo-5-fluorophenyl)pyridine-2-sulfonamide (CID 106087539) is 5-(aminomethyl)-N-(2-bromo-5-fluorophenyl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-bromo-5-fluorophenyl)pyridine-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-bromo-5-fluorophenyl)pyridine-2-sulfonamide is NCc1ccc(S(=O)(=O)Nc2cc(F)ccc2Br)nc1.
What is the InChIKey of 5-(aminomethyl)-N-(2-bromo-5-fluorophenyl)pyridine-2-sulfonamide?
The InChIKey is SAYMWBILAQJMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O2S/c13-10-3-2-9(14)5-11(10)17-20(18,19)12-4-1-8(6-15)7-16-12/h1-5,7,17H,6,15H2.
What are the key properties of 5-(aminomethyl)-N-(2-bromo-5-fluorophenyl)pyridine-2-sulfonamide?
5-(aminomethyl)-N-(2-bromo-5-fluorophenyl)pyridine-2-sulfonamide has a molecular weight of 360.21 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-bromo-5-fluorophenyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106087539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).