N-(3,5-difluorophenyl)-6-[(1-methyltriazol-4-yl)methylamino]pyridine-3-sulfonamide

C15H14F2N6O2S — CID 166208303

IUPACN-(3,5-difluorophenyl)-6-[(1-methyltriazol-4-yl)methylamino]pyridine-3-sulfonamide
SMILESCn1cc(CNc2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn2)nn1
InChIInChI=1S/C15H14F2N6O2S/c1-23-9-13(20-22-23)7-18-15-3-2-14(8-19-15)26(24,25)21-12-5-10(16)4-11(17)6-12/h2-6,8-9,21H,7H2,1H3,(H,18,19)
InChIKeyUTVLZRRSSMGYSW-UHFFFAOYSA-N
MW380.38 g/mol
LogP1.90
Rot. Bonds6

About N-(3,5-difluorophenyl)-6-[(1-methyltriazol-4-yl)methylamino]pyridine-3-sulfonamide

N-(3,5-difluorophenyl)-6-[(1-methyltriazol-4-yl)methylamino]pyridine-3-sulfonamide (PubChem CID 166208303) has the molecular formula C15H14F2N6O2S and a molecular weight of 380.38 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-6-[(1-methyltriazol-4-yl)methylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-6-[(1-methyltriazol-4-yl)methylamino]pyridine-3-sulfonamide
PubChem CID166208303
Molecular FormulaC15H14F2N6O2S
Molecular Weight380.38 g/mol
Exact Mass380.09
IUPAC NameN-(3,5-difluorophenyl)-6-[(1-methyltriazol-4-yl)methylamino]pyridine-3-sulfonamide
SMILESCn1cc(CNc2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn2)nn1
InChIInChI=1S/C15H14F2N6O2S/c1-23-9-13(20-22-23)7-18-15-3-2-14(8-19-15)26(24,25)21-12-5-10(16)4-11(17)6-12/h2-6,8-9,21H,7H2,1H3,(H,18,19)
InChIKeyUTVLZRRSSMGYSW-UHFFFAOYSA-N
XLogP1.90
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide
CID 133351839
N-[2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]ethyl]acetamide
CID 133352522
6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
CID 133399653
N-(3,5-difluorophenyl)-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-sulfonamide
CID 133314068
6-(ethylamino)-N-(4-fluorophenyl)pyridine-3-sulfonamide
CID 62145209
N-(4-fluorophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145210
N-(3,5-difluorophenyl)-6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-sulfonamide
CID 133355290
N-tert-butyl-2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]propanamide
CID 133351813
N-(3-chloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62144412
N-(3,5-difluorophenyl)-6-[1-(furan-2-yl)ethylamino]pyridine-3-sulfonamide
CID 133358492
N-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62142755
N-(3,5-difluorophenyl)-6-(1-thiophen-2-ylethylamino)pyridine-3-sulfonamide
CID 133372819

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-6-[(1-methyltriazol-4-yl)methylamino]pyridine-3-sulfonamide?
The IUPAC name of N-(3,5-difluorophenyl)-6-[(1-methyltriazol-4-yl)methylamino]pyridine-3-sulfonamide (CID 166208303) is N-(3,5-difluorophenyl)-6-[(1-methyltriazol-4-yl)methylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-6-[(1-methyltriazol-4-yl)methylamino]pyridine-3-sulfonamide?
The canonical SMILES for N-(3,5-difluorophenyl)-6-[(1-methyltriazol-4-yl)methylamino]pyridine-3-sulfonamide is Cn1cc(CNc2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn2)nn1.
What is the InChIKey of N-(3,5-difluorophenyl)-6-[(1-methyltriazol-4-yl)methylamino]pyridine-3-sulfonamide?
The InChIKey is UTVLZRRSSMGYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N6O2S/c1-23-9-13(20-22-23)7-18-15-3-2-14(8-19-15)26(24,25)21-12-5-10(16)4-11(17)6-12/h2-6,8-9,21H,7H2,1H3,(H,18,19).
What are the key properties of N-(3,5-difluorophenyl)-6-[(1-methyltriazol-4-yl)methylamino]pyridine-3-sulfonamide?
N-(3,5-difluorophenyl)-6-[(1-methyltriazol-4-yl)methylamino]pyridine-3-sulfonamide has a molecular weight of 380.38 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-6-[(1-methyltriazol-4-yl)methylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 166208303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).