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

C15H17F2N3O3S — CID 133345840

IUPACN-(3,4-difluorophenyl)-6-(3-hydroxybutylamino)pyridine-3-sulfonamide
SMILESCC(O)CCNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C15H17F2N3O3S/c1-10(21)6-7-18-15-5-3-12(9-19-15)24(22,23)20-11-2-4-13(16)14(17)8-11/h2-5,8-10,20-21H,6-7H2,1H3,(H,18,19)
InChIKeyXSMGXYDRSFKCRM-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.34
Rot. Bonds7

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

N-(3,4-difluorophenyl)-6-(3-hydroxybutylamino)pyridine-3-sulfonamide (PubChem CID 133345840) has the molecular formula C15H17F2N3O3S and a molecular weight of 357.38 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-(3-hydroxybutylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-(3-hydroxybutylamino)pyridine-3-sulfonamide
PubChem CID133345840
Molecular FormulaC15H17F2N3O3S
Molecular Weight357.38 g/mol
Exact Mass357.10
IUPAC NameN-(3,4-difluorophenyl)-6-(3-hydroxybutylamino)pyridine-3-sulfonamide
SMILESCC(O)CCNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C15H17F2N3O3S/c1-10(21)6-7-18-15-5-3-12(9-19-15)24(22,23)20-11-2-4-13(16)14(17)8-11/h2-5,8-10,20-21H,6-7H2,1H3,(H,18,19)
InChIKeyXSMGXYDRSFKCRM-UHFFFAOYSA-N
XLogP2.34
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-(3-hydroxybutylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-(3-hydroxybutylamino)pyridine-3-sulfonamide (CID 133345840) is N-(3,4-difluorophenyl)-6-(3-hydroxybutylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-(3-hydroxybutylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-(3-hydroxybutylamino)pyridine-3-sulfonamide is CC(O)CCNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-(3-hydroxybutylamino)pyridine-3-sulfonamide?
The InChIKey is XSMGXYDRSFKCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3S/c1-10(21)6-7-18-15-5-3-12(9-19-15)24(22,23)20-11-2-4-13(16)14(17)8-11/h2-5,8-10,20-21H,6-7H2,1H3,(H,18,19).
What are the key properties of N-(3,4-difluorophenyl)-6-(3-hydroxybutylamino)pyridine-3-sulfonamide?
N-(3,4-difluorophenyl)-6-(3-hydroxybutylamino)pyridine-3-sulfonamide has a molecular weight of 357.38 g/mol, XLogP of 2.34, 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-hydroxybutylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 133345840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).