4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-N-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-3-fluoro-1-methylpyrrole-2-carboxamide

C17H19F5N4O3S — CID 118302422

IUPAC4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-N-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-3-fluoro-1-methylpyrrole-2-carboxamide
SMILESCc1cc(NC(=O)c2c(F)c(S(=O)(=O)N[C@H](C)C(C)(F)F)cn2C)cc(C(F)F)n1
InChIInChI=1S/C17H19F5N4O3S/c1-8-5-10(6-11(23-8)15(19)20)24-16(27)14-13(18)12(7-26(14)4)30(28,29)25-9(2)17(3,21)22/h5-7,9,15,25H,1-4H3,(H,23,24,27)/t9-/m1/s1
InChIKeyBSKZUFGHPGXDQT-SECBINFHSA-N
MW454.42 g/mol
LogP3.38
Rot. Bonds7

About 4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-N-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-3-fluoro-1-methylpyrrole-2-carboxamide

4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-N-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-3-fluoro-1-methylpyrrole-2-carboxamide (PubChem CID 118302422) has the molecular formula C17H19F5N4O3S and a molecular weight of 454.42 g/mol. Its IUPAC name is 4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-N-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-3-fluoro-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-N-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-3-fluoro-1-methylpyrrole-2-carboxamide
PubChem CID118302422
Molecular FormulaC17H19F5N4O3S
Molecular Weight454.42 g/mol
Exact Mass454.11
IUPAC Name4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-N-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-3-fluoro-1-methylpyrrole-2-carboxamide
SMILESCc1cc(NC(=O)c2c(F)c(S(=O)(=O)N[C@H](C)C(C)(F)F)cn2C)cc(C(F)F)n1
InChIInChI=1S/C17H19F5N4O3S/c1-8-5-10(6-11(23-8)15(19)20)24-16(27)14-13(18)12(7-26(14)4)30(28,29)25-9(2)17(3,21)22/h5-7,9,15,25H,1-4H3,(H,23,24,27)/t9-/m1/s1
InChIKeyBSKZUFGHPGXDQT-SECBINFHSA-N
XLogP3.38
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-N-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-3-fluoro-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-N-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-3-fluoro-1-methylpyrrole-2-carboxamide (CID 118302422) is 4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-N-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-3-fluoro-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-N-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-3-fluoro-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-N-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-3-fluoro-1-methylpyrrole-2-carboxamide is Cc1cc(NC(=O)c2c(F)c(S(=O)(=O)N[C@H](C)C(C)(F)F)cn2C)cc(C(F)F)n1.
What is the InChIKey of 4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-N-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-3-fluoro-1-methylpyrrole-2-carboxamide?
The InChIKey is BSKZUFGHPGXDQT-SECBINFHSA-N. The full InChI is InChI=1S/C17H19F5N4O3S/c1-8-5-10(6-11(23-8)15(19)20)24-16(27)14-13(18)12(7-26(14)4)30(28,29)25-9(2)17(3,21)22/h5-7,9,15,25H,1-4H3,(H,23,24,27)/t9-/m1/s1.
What are the key properties of 4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-N-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-3-fluoro-1-methylpyrrole-2-carboxamide?
4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-N-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-3-fluoro-1-methylpyrrole-2-carboxamide has a molecular weight of 454.42 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-N-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-3-fluoro-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 118302422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).