6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide

C19H21F2N3O3S — CID 133473678

IUPAC6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(NC2CCOC(C3CC3)C2)nc1
InChIInChI=1S/C19H21F2N3O3S/c20-13-7-14(21)9-16(8-13)24-28(25,26)17-3-4-19(22-11-17)23-15-5-6-27-18(10-15)12-1-2-12/h3-4,7-9,11-12,15,18,24H,1-2,5-6,10H2,(H,22,23)
InChIKeyUOAREAVEUSRBPR-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.53
Rot. Bonds6

About 6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide

6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide (PubChem CID 133473678) has the molecular formula C19H21F2N3O3S and a molecular weight of 409.46 g/mol. Its IUPAC name is 6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
PubChem CID133473678
Molecular FormulaC19H21F2N3O3S
Molecular Weight409.46 g/mol
Exact Mass409.13
IUPAC Name6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(NC2CCOC(C3CC3)C2)nc1
InChIInChI=1S/C19H21F2N3O3S/c20-13-7-14(21)9-16(8-13)24-28(25,26)17-3-4-19(22-11-17)23-15-5-6-27-18(10-15)12-1-2-12/h3-4,7-9,11-12,15,18,24H,1-2,5-6,10H2,(H,22,23)
InChIKeyUOAREAVEUSRBPR-UHFFFAOYSA-N
XLogP3.53
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.53
H-Bond Donors ≤ 52
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-(2-cyclopropyloxan-4-yl)pyridin-2-amine
CID 133473667
N-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide
CID 133351839
N-[2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]ethyl]acetamide
CID 133352522
N-tert-butyl-2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]propanamide
CID 133351813
6-[(2-cyclopropyloxan-4-yl)amino]-N-methylpyridazine-3-carboxamide
CID 133473132
methyl 6-[(2-cyclopropyloxan-4-yl)amino]pyridazine-3-carboxylate
CID 133473769
6-[(2-cyclopropyloxan-4-yl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133473407
6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
CID 133399653
N-(3,5-difluorophenyl)-6-[1-(furan-2-yl)ethylamino]pyridine-3-sulfonamide
CID 133358492
N-(2-cyclopropyloxan-4-yl)-6-(4-fluorophenyl)pyridazin-3-amine
CID 133473519
N-(3,5-difluorophenyl)-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-sulfonamide
CID 133314068

Frequently Asked Questions

What is the IUPAC name of 6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide (CID 133473678) is 6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide is O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(NC2CCOC(C3CC3)C2)nc1.
What is the InChIKey of 6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide?
The InChIKey is UOAREAVEUSRBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3S/c20-13-7-14(21)9-16(8-13)24-28(25,26)17-3-4-19(22-11-17)23-15-5-6-27-18(10-15)12-1-2-12/h3-4,7-9,11-12,15,18,24H,1-2,5-6,10H2,(H,22,23).
What are the key properties of 6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide?
6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide has a molecular weight of 409.46 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 133473678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).