5-(aminomethyl)-N-(2-chloro-6-fluorophenyl)pyridine-2-sulfonamide

C12H11ClFN3O2S — CID 106083674

IUPAC5-(aminomethyl)-N-(2-chloro-6-fluorophenyl)pyridine-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2c(F)cccc2Cl)nc1
InChIInChI=1S/C12H11ClFN3O2S/c13-9-2-1-3-10(14)12(9)17-20(18,19)11-5-4-8(6-15)7-16-11/h1-5,7,17H,6,15H2
InChIKeyHGAJXNBDFSMXRQ-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.13
Rot. Bonds4

About 5-(aminomethyl)-N-(2-chloro-6-fluorophenyl)pyridine-2-sulfonamide

5-(aminomethyl)-N-(2-chloro-6-fluorophenyl)pyridine-2-sulfonamide (PubChem CID 106083674) has the molecular formula C12H11ClFN3O2S and a molecular weight of 315.76 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-chloro-6-fluorophenyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-chloro-6-fluorophenyl)pyridine-2-sulfonamide
PubChem CID106083674
Molecular FormulaC12H11ClFN3O2S
Molecular Weight315.76 g/mol
Exact Mass315.02
IUPAC Name5-(aminomethyl)-N-(2-chloro-6-fluorophenyl)pyridine-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2c(F)cccc2Cl)nc1
InChIInChI=1S/C12H11ClFN3O2S/c13-9-2-1-3-10(14)12(9)17-20(18,19)11-5-4-8(6-15)7-16-11/h1-5,7,17H,6,15H2
InChIKeyHGAJXNBDFSMXRQ-UHFFFAOYSA-N
XLogP2.13
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(2,4,5-trichlorophenyl)pyridine-2-sulfonamide
CID 106057739
5-(aminomethyl)-N-(2-chloro-5-methylphenyl)pyridine-2-sulfonamide
CID 106087649
5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)pyridine-2-sulfonamide
CID 106002333
1-[3-(aminomethyl)phenyl]-N-(2-chloro-6-fluorophenyl)methanesulfonamide
CID 106083603
5-(aminomethyl)-N-(5-bromo-2,4-difluorophenyl)pyridine-2-sulfonamide
CID 106087059
4-(aminomethyl)-N-(2-chloro-6-methylphenyl)-2-fluorobenzenesulfonamide
CID 106070701
5-(aminomethyl)-N-(3-iodophenyl)pyridine-2-sulfonamide
CID 106029529
5-(aminomethyl)-N-(2-bromo-5-fluorophenyl)pyridine-2-sulfonamide
CID 106087539
4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide
CID 106083654
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)pyridine-2-sulfonamide
CID 106070858
N-(3,5-dichloro-4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-sulfonamide
CID 106000536
5,6-dichloro-N-(2,6-difluorophenyl)pyridine-3-sulfonamide
CID 64625188

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-chloro-6-fluorophenyl)pyridine-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-chloro-6-fluorophenyl)pyridine-2-sulfonamide (CID 106083674) is 5-(aminomethyl)-N-(2-chloro-6-fluorophenyl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-chloro-6-fluorophenyl)pyridine-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-chloro-6-fluorophenyl)pyridine-2-sulfonamide is NCc1ccc(S(=O)(=O)Nc2c(F)cccc2Cl)nc1.
What is the InChIKey of 5-(aminomethyl)-N-(2-chloro-6-fluorophenyl)pyridine-2-sulfonamide?
The InChIKey is HGAJXNBDFSMXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O2S/c13-9-2-1-3-10(14)12(9)17-20(18,19)11-5-4-8(6-15)7-16-11/h1-5,7,17H,6,15H2.
What are the key properties of 5-(aminomethyl)-N-(2-chloro-6-fluorophenyl)pyridine-2-sulfonamide?
5-(aminomethyl)-N-(2-chloro-6-fluorophenyl)pyridine-2-sulfonamide has a molecular weight of 315.76 g/mol, XLogP of 2.13, 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-chloro-6-fluorophenyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106083674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).