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

C19H21F2N3O3S — CID 133473497

IUPAC6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(NC2CCOC(C3CC3)C2)nc1
InChIInChI=1S/C19H21F2N3O3S/c20-16-5-3-14(9-17(16)21)24-28(25,26)15-4-6-19(22-11-15)23-13-7-8-27-18(10-13)12-1-2-12/h3-6,9,11-13,18,24H,1-2,7-8,10H2,(H,22,23)
InChIKeyNTGMKEYOCBAJQZ-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.53
Rot. Bonds6

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

6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide (PubChem CID 133473497) 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-(3,4-difluorophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide
PubChem CID133473497
Molecular FormulaC19H21F2N3O3S
Molecular Weight409.46 g/mol
Exact Mass409.13
IUPAC Name6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(NC2CCOC(C3CC3)C2)nc1
InChIInChI=1S/C19H21F2N3O3S/c20-16-5-3-14(9-17(16)21)24-28(25,26)15-4-6-19(22-11-15)23-13-7-8-27-18(10-13)12-1-2-12/h3-6,9,11-13,18,24H,1-2,7-8,10H2,(H,22,23)
InChIKeyNTGMKEYOCBAJQZ-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-(3,5-difluorophenyl)pyridine-3-sulfonamide
CID 133473678
N-(3,4-difluorophenyl)-6-[(2-hydroxycyclohexyl)amino]pyridine-3-sulfonamide
CID 133354555
N-(3,4-difluorophenyl)-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide
CID 133359510
N-(3,4-difluorophenyl)-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]pyridine-3-sulfonamide
CID 133359164
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-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyridine-3-sulfonamide
CID 133390354
N-(3,4-difluorophenyl)-6-(3-morpholin-4-ylbutan-2-ylamino)pyridine-3-sulfonamide
CID 133355169
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
N-(2-cyclopropyloxan-4-yl)pyridin-2-amine
CID 133473667
N-[1-[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-4-yl]acetamide
CID 133359449

Frequently Asked Questions

What is the IUPAC name of 6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide (CID 133473497) is 6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide is O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(NC2CCOC(C3CC3)C2)nc1.
What is the InChIKey of 6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide?
The InChIKey is NTGMKEYOCBAJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3S/c20-16-5-3-14(9-17(16)21)24-28(25,26)15-4-6-19(22-11-15)23-13-7-8-27-18(10-13)12-1-2-12/h3-6,9,11-13,18,24H,1-2,7-8,10H2,(H,22,23).
What are the key properties of 6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide?
6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,4-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-(3,4-difluorophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 133473497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).