N-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide

C14H15F2N3O3S — CID 133338926

IUPACN-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(NCCCO)nc1
InChIInChI=1S/C14H15F2N3O3S/c15-12-4-2-10(8-13(12)16)19-23(21,22)11-3-5-14(18-9-11)17-6-1-7-20/h2-5,8-9,19-20H,1,6-7H2,(H,17,18)
InChIKeyIXRMGEVWFKPTJL-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.95
Rot. Bonds7

About N-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide

N-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide (PubChem CID 133338926) has the molecular formula C14H15F2N3O3S and a molecular weight of 343.36 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide
PubChem CID133338926
Molecular FormulaC14H15F2N3O3S
Molecular Weight343.36 g/mol
Exact Mass343.08
IUPAC NameN-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(NCCCO)nc1
InChIInChI=1S/C14H15F2N3O3S/c15-12-4-2-10(8-13(12)16)19-23(21,22)11-3-5-14(18-9-11)17-6-1-7-20/h2-5,8-9,19-20H,1,6-7H2,(H,17,18)
InChIKeyIXRMGEVWFKPTJL-UHFFFAOYSA-N
XLogP1.95
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-difluorophenyl)-6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridine-3-sulfonamide
CID 133496593
N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide
CID 133355153
N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-phenylpropyl)amino]pyridine-3-sulfonamide
CID 133345839
N-(3,4-difluorophenyl)-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-sulfonamide
CID 133355206
N-(3,4-difluorophenyl)-6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyridine-3-sulfonamide
CID 133390354
N-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 104781528
6-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide
CID 133454088
N-(3-chloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62144412
N-(3,4-difluorophenyl)-6-[(2-hydroxycyclohexyl)amino]pyridine-3-sulfonamide
CID 133354555
N-(3,4-difluorophenyl)-6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-3-sulfonamide
CID 133338957
N-(4-fluorophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145210
5-[(3,4-difluorophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614005

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide (CID 133338926) is N-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide is O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(NCCCO)nc1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide?
The InChIKey is IXRMGEVWFKPTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O3S/c15-12-4-2-10(8-13(12)16)19-23(21,22)11-3-5-14(18-9-11)17-6-1-7-20/h2-5,8-9,19-20H,1,6-7H2,(H,17,18).
What are the key properties of N-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide?
N-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide has a molecular weight of 343.36 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 133338926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).