N-(3,4-difluorophenyl)-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-sulfonamide

C17H21F2N3O3S — CID 133355206

IUPACN-(3,4-difluorophenyl)-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-sulfonamide
SMILESCC(C)CC(CO)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C17H21F2N3O3S/c1-11(2)7-13(10-23)21-17-6-4-14(9-20-17)26(24,25)22-12-3-5-15(18)16(19)8-12/h3-6,8-9,11,13,22-23H,7,10H2,1-2H3,(H,20,21)
InChIKeyUVTJMZNYZICVMO-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.98
Rot. Bonds8

About N-(3,4-difluorophenyl)-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-sulfonamide

N-(3,4-difluorophenyl)-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-sulfonamide (PubChem CID 133355206) has the molecular formula C17H21F2N3O3S and a molecular weight of 385.44 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-sulfonamide
PubChem CID133355206
Molecular FormulaC17H21F2N3O3S
Molecular Weight385.44 g/mol
Exact Mass385.13
IUPAC NameN-(3,4-difluorophenyl)-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-sulfonamide
SMILESCC(C)CC(CO)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C17H21F2N3O3S/c1-11(2)7-13(10-23)21-17-6-4-14(9-20-17)26(24,25)22-12-3-5-15(18)16(19)8-12/h3-6,8-9,11,13,22-23H,7,10H2,1-2H3,(H,20,21)
InChIKeyUVTJMZNYZICVMO-UHFFFAOYSA-N
XLogP2.98
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-sulfonamide
CID 133359425
N-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide
CID 133338926
N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide
CID 133355153
N-(3,4-difluorophenyl)-6-[4-(4-methylpiperazin-1-yl)butan-2-ylamino]pyridine-3-sulfonamide
CID 133480767
N-(3,4-difluorophenyl)-6-(3-morpholin-4-ylbutan-2-ylamino)pyridine-3-sulfonamide
CID 133355169
N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-phenylpropyl)amino]pyridine-3-sulfonamide
CID 133345839
2-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 61246447
N-(3,4-difluorophenyl)-6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridine-3-sulfonamide
CID 133496593
6-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide
CID 133454088
N-(3,4-difluorophenyl)-6-[(2-hydroxycyclohexyl)amino]pyridine-3-sulfonamide
CID 133354555
5-[(3,4-difluorophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614005
N-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 104781528

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-sulfonamide (CID 133355206) is N-(3,4-difluorophenyl)-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-sulfonamide is CC(C)CC(CO)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-sulfonamide?
The InChIKey is UVTJMZNYZICVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O3S/c1-11(2)7-13(10-23)21-17-6-4-14(9-20-17)26(24,25)22-12-3-5-15(18)16(19)8-12/h3-6,8-9,11,13,22-23H,7,10H2,1-2H3,(H,20,21).
What are the key properties of N-(3,4-difluorophenyl)-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-sulfonamide?
N-(3,4-difluorophenyl)-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-sulfonamide has a molecular weight of 385.44 g/mol, XLogP of 2.98, 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-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-sulfonamide is sourced from PubChem (CID 133355206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).