N-(3,4-difluorophenyl)-6-(2-hydroxypentylamino)pyridine-3-sulfonamide

C16H19F2N3O3S — CID 133345725

IUPACN-(3,4-difluorophenyl)-6-(2-hydroxypentylamino)pyridine-3-sulfonamide
SMILESCCCC(O)CNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C16H19F2N3O3S/c1-2-3-12(22)9-19-16-7-5-13(10-20-16)25(23,24)21-11-4-6-14(17)15(18)8-11/h4-8,10,12,21-22H,2-3,9H2,1H3,(H,19,20)
InChIKeyOVQXRTHFTPSWSH-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.73
Rot. Bonds8

About N-(3,4-difluorophenyl)-6-(2-hydroxypentylamino)pyridine-3-sulfonamide

N-(3,4-difluorophenyl)-6-(2-hydroxypentylamino)pyridine-3-sulfonamide (PubChem CID 133345725) has the molecular formula C16H19F2N3O3S and a molecular weight of 371.41 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-(2-hydroxypentylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-(2-hydroxypentylamino)pyridine-3-sulfonamide
PubChem CID133345725
Molecular FormulaC16H19F2N3O3S
Molecular Weight371.41 g/mol
Exact Mass371.11
IUPAC NameN-(3,4-difluorophenyl)-6-(2-hydroxypentylamino)pyridine-3-sulfonamide
SMILESCCCC(O)CNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C16H19F2N3O3S/c1-2-3-12(22)9-19-16-7-5-13(10-20-16)25(23,24)21-11-4-6-14(17)15(18)8-11/h4-8,10,12,21-22H,2-3,9H2,1H3,(H,19,20)
InChIKeyOVQXRTHFTPSWSH-UHFFFAOYSA-N
XLogP2.73
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(3,4-difluorophenyl)-6-(2-hydroxypentylamino)pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-(2-hydroxypentylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-(2-hydroxypentylamino)pyridine-3-sulfonamide (CID 133345725) is N-(3,4-difluorophenyl)-6-(2-hydroxypentylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-(2-hydroxypentylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-(2-hydroxypentylamino)pyridine-3-sulfonamide is CCCC(O)CNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-(2-hydroxypentylamino)pyridine-3-sulfonamide?
The InChIKey is OVQXRTHFTPSWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O3S/c1-2-3-12(22)9-19-16-7-5-13(10-20-16)25(23,24)21-11-4-6-14(17)15(18)8-11/h4-8,10,12,21-22H,2-3,9H2,1H3,(H,19,20).
What are the key properties of N-(3,4-difluorophenyl)-6-(2-hydroxypentylamino)pyridine-3-sulfonamide?
N-(3,4-difluorophenyl)-6-(2-hydroxypentylamino)pyridine-3-sulfonamide has a molecular weight of 371.41 g/mol, XLogP of 2.73, 8 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-(2-hydroxypentylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 133345725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).