5-(aminomethyl)-N-(5-bromo-2,4-difluorophenyl)pyridine-2-sulfonamide

C12H10BrF2N3O2S — CID 106087059

IUPAC5-(aminomethyl)-N-(5-bromo-2,4-difluorophenyl)pyridine-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)nc1
InChIInChI=1S/C12H10BrF2N3O2S/c13-8-3-11(10(15)4-9(8)14)18-21(19,20)12-2-1-7(5-16)6-17-12/h1-4,6,18H,5,16H2
InChIKeyVKQATFFUBRZNDG-UHFFFAOYSA-N
MW378.20 g/mol
LogP2.38
Rot. Bonds4

About 5-(aminomethyl)-N-(5-bromo-2,4-difluorophenyl)pyridine-2-sulfonamide

5-(aminomethyl)-N-(5-bromo-2,4-difluorophenyl)pyridine-2-sulfonamide (PubChem CID 106087059) has the molecular formula C12H10BrF2N3O2S and a molecular weight of 378.20 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(5-bromo-2,4-difluorophenyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(5-bromo-2,4-difluorophenyl)pyridine-2-sulfonamide
PubChem CID106087059
Molecular FormulaC12H10BrF2N3O2S
Molecular Weight378.20 g/mol
Exact Mass376.96
IUPAC Name5-(aminomethyl)-N-(5-bromo-2,4-difluorophenyl)pyridine-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)nc1
InChIInChI=1S/C12H10BrF2N3O2S/c13-8-3-11(10(15)4-9(8)14)18-21(19,20)12-2-1-7(5-16)6-17-12/h1-4,6,18H,5,16H2
InChIKeyVKQATFFUBRZNDG-UHFFFAOYSA-N
XLogP2.38
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.20
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-N-(2-bromo-5-fluorophenyl)pyridine-2-sulfonamide
CID 106087539
5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)pyridine-2-sulfonamide
CID 106002333
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
N-(5-bromo-2,4-difluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 102854113
5-(aminomethyl)-N-(2-chloro-5-methylphenyl)pyridine-2-sulfonamide
CID 106087649
5-(aminomethyl)-N-(2-chloro-6-fluorophenyl)pyridine-2-sulfonamide
CID 106083674
5-(aminomethyl)-N-(3-iodophenyl)pyridine-2-sulfonamide
CID 106029529
1-(2-aminoethyl)-N-(5-bromo-2,4-difluorophenyl)pyrazole-4-sulfonamide
CID 106087019
1-bromo-2,4-difluoro-5-(sulfamoylamino)benzene
CID 102855195
4-(aminomethyl)-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
CID 106007285
5-(aminomethyl)-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide
CID 106058466

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(5-bromo-2,4-difluorophenyl)pyridine-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(5-bromo-2,4-difluorophenyl)pyridine-2-sulfonamide (CID 106087059) is 5-(aminomethyl)-N-(5-bromo-2,4-difluorophenyl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(5-bromo-2,4-difluorophenyl)pyridine-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(5-bromo-2,4-difluorophenyl)pyridine-2-sulfonamide is NCc1ccc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)nc1.
What is the InChIKey of 5-(aminomethyl)-N-(5-bromo-2,4-difluorophenyl)pyridine-2-sulfonamide?
The InChIKey is VKQATFFUBRZNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2N3O2S/c13-8-3-11(10(15)4-9(8)14)18-21(19,20)12-2-1-7(5-16)6-17-12/h1-4,6,18H,5,16H2.
What are the key properties of 5-(aminomethyl)-N-(5-bromo-2,4-difluorophenyl)pyridine-2-sulfonamide?
5-(aminomethyl)-N-(5-bromo-2,4-difluorophenyl)pyridine-2-sulfonamide has a molecular weight of 378.20 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(5-bromo-2,4-difluorophenyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106087059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).