N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide

C20H21F2N5O3S — CID 133355185

IUPACN-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide
SMILESCc1cnn(CC2CN(c3ccc(S(=O)(=O)Nc4ccc(F)c(F)c4)cn3)CCO2)c1
InChIInChI=1S/C20H21F2N5O3S/c1-14-9-24-27(11-14)13-16-12-26(6-7-30-16)20-5-3-17(10-23-20)31(28,29)25-15-2-4-18(21)19(22)8-15/h2-5,8-11,16,25H,6-7,12-13H2,1H3
InChIKeyZFUBZJQYPSDJDG-UHFFFAOYSA-N
MW449.48 g/mol
LogP2.57
Rot. Bonds6

About N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide

N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide (PubChem CID 133355185) has the molecular formula C20H21F2N5O3S and a molecular weight of 449.48 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide
PubChem CID133355185
Molecular FormulaC20H21F2N5O3S
Molecular Weight449.48 g/mol
Exact Mass449.13
IUPAC NameN-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide
SMILESCc1cnn(CC2CN(c3ccc(S(=O)(=O)Nc4ccc(F)c(F)c4)cn3)CCO2)c1
InChIInChI=1S/C20H21F2N5O3S/c1-14-9-24-27(11-14)13-16-12-26(6-7-30-16)20-5-3-17(10-23-20)31(28,29)25-15-2-4-18(21)19(22)8-15/h2-5,8-11,16,25H,6-7,12-13H2,1H3
InChIKeyZFUBZJQYPSDJDG-UHFFFAOYSA-N
XLogP2.57
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide (CID 133355185) is N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide is Cc1cnn(CC2CN(c3ccc(S(=O)(=O)Nc4ccc(F)c(F)c4)cn3)CCO2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide?
The InChIKey is ZFUBZJQYPSDJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O3S/c1-14-9-24-27(11-14)13-16-12-26(6-7-30-16)20-5-3-17(10-23-20)31(28,29)25-15-2-4-18(21)19(22)8-15/h2-5,8-11,16,25H,6-7,12-13H2,1H3.
What are the key properties of N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide?
N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide has a molecular weight of 449.48 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 133355185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).