N-(3,4-difluorophenyl)-6-[(2-hydroxycyclohexyl)amino]pyridine-3-sulfonamide

C17H19F2N3O3S — CID 133354555

IUPACN-(3,4-difluorophenyl)-6-[(2-hydroxycyclohexyl)amino]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(NC2CCCCC2O)nc1
InChIInChI=1S/C17H19F2N3O3S/c18-13-7-5-11(9-14(13)19)22-26(24,25)12-6-8-17(20-10-12)21-15-3-1-2-4-16(15)23/h5-10,15-16,22-23H,1-4H2,(H,20,21)
InChIKeyXHTWEBIEWPIFIH-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.88
Rot. Bonds5

About N-(3,4-difluorophenyl)-6-[(2-hydroxycyclohexyl)amino]pyridine-3-sulfonamide

N-(3,4-difluorophenyl)-6-[(2-hydroxycyclohexyl)amino]pyridine-3-sulfonamide (PubChem CID 133354555) has the molecular formula C17H19F2N3O3S and a molecular weight of 383.42 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[(2-hydroxycyclohexyl)amino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[(2-hydroxycyclohexyl)amino]pyridine-3-sulfonamide
PubChem CID133354555
Molecular FormulaC17H19F2N3O3S
Molecular Weight383.42 g/mol
Exact Mass383.11
IUPAC NameN-(3,4-difluorophenyl)-6-[(2-hydroxycyclohexyl)amino]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(NC2CCCCC2O)nc1
InChIInChI=1S/C17H19F2N3O3S/c18-13-7-5-11(9-14(13)19)22-26(24,25)12-6-8-17(20-10-12)21-15-3-1-2-4-16(15)23/h5-10,15-16,22-23H,1-4H2,(H,20,21)
InChIKeyXHTWEBIEWPIFIH-UHFFFAOYSA-N
XLogP2.88
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide
CID 133473497
N-(3,4-difluorophenyl)-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]pyridine-3-sulfonamide
CID 133359164
trans-(1S,2S)-2-(3,4-difluoroanilino)cyclohexan-1-ol
CID 102730932
N-(3,4-difluorophenyl)-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide
CID 133359510
N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide
CID 133355153
N-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide
CID 133338926
6-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide
CID 133454088
N-(3,4-difluorophenyl)-6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridine-3-sulfonamide
CID 133496593
N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-phenylpropyl)amino]pyridine-3-sulfonamide
CID 133345839
5-[(3,4-difluorophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614005
N-[1-[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-4-yl]acetamide
CID 133359449
N-(3,4-difluorophenyl)-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-sulfonamide
CID 133355206

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-[(2-hydroxycyclohexyl)amino]pyridine-3-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[(2-hydroxycyclohexyl)amino]pyridine-3-sulfonamide (CID 133354555) is N-(3,4-difluorophenyl)-6-[(2-hydroxycyclohexyl)amino]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[(2-hydroxycyclohexyl)amino]pyridine-3-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[(2-hydroxycyclohexyl)amino]pyridine-3-sulfonamide is O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(NC2CCCCC2O)nc1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[(2-hydroxycyclohexyl)amino]pyridine-3-sulfonamide?
The InChIKey is XHTWEBIEWPIFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3S/c18-13-7-5-11(9-14(13)19)22-26(24,25)12-6-8-17(20-10-12)21-15-3-1-2-4-16(15)23/h5-10,15-16,22-23H,1-4H2,(H,20,21).
What are the key properties of N-(3,4-difluorophenyl)-6-[(2-hydroxycyclohexyl)amino]pyridine-3-sulfonamide?
N-(3,4-difluorophenyl)-6-[(2-hydroxycyclohexyl)amino]pyridine-3-sulfonamide has a molecular weight of 383.42 g/mol, XLogP of 2.88, 5 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-hydroxycyclohexyl)amino]pyridine-3-sulfonamide is sourced from PubChem (CID 133354555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).