2-(aminomethyl)-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide

C12H10F3N3O2S — CID 106594436

IUPAC2-(aminomethyl)-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide
SMILESNCc1ncccc1S(=O)(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H10F3N3O2S/c13-8-4-7(5-9(14)12(8)15)18-21(19,20)11-2-1-3-17-10(11)6-16/h1-5,18H,6,16H2
InChIKeyOFAYCAJEIVXXQM-UHFFFAOYSA-N
MW317.29 g/mol
LogP1.76
Rot. Bonds4

About 2-(aminomethyl)-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide

2-(aminomethyl)-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide (PubChem CID 106594436) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide
PubChem CID106594436
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name2-(aminomethyl)-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide
SMILESNCc1ncccc1S(=O)(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H10F3N3O2S/c13-8-4-7(5-9(14)12(8)15)18-21(19,20)11-2-1-3-17-10(11)6-16/h1-5,18H,6,16H2
InChIKeyOFAYCAJEIVXXQM-UHFFFAOYSA-N
XLogP1.76
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide
CID 62814206
2-(aminomethyl)-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62809509
2-(aminomethyl)-N-(6-methyl-3-pyridinyl)pyridine-3-sulfonamide
CID 106594765
2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
CID 106593695
2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 106595040
2-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide
CID 106594533
2-(aminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
CID 106217438
N-(3,4,5-trifluorophenyl)isoquinoline-5-sulfonamide
CID 25049723
(3-ethylsulfonyl-2-pyridinyl)methanamine
CID 146050328
3-[(3,4-difluorophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596336
2-(aminomethyl)-N-(2-methylcyclopropyl)pyridine-3-sulfonamide
CID 106594415
2-amino-4-fluoro-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62809639

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide (CID 106594436) is 2-(aminomethyl)-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide is NCc1ncccc1S(=O)(=O)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-(aminomethyl)-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide?
The InChIKey is OFAYCAJEIVXXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c13-8-4-7(5-9(14)12(8)15)18-21(19,20)11-2-1-3-17-10(11)6-16/h1-5,18H,6,16H2.
What are the key properties of 2-(aminomethyl)-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide?
2-(aminomethyl)-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide has a molecular weight of 317.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106594436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).