N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide

C17H15F6N5O3S — CID 146525690

IUPACN-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCC[C@H]2C(F)(F)F)ccn1
InChIInChI=1S/C17H15F6N5O3S/c18-16(19,20)9-6-11(14(26-8-9)28-5-1-2-12(28)17(21,22)23)15(29)27-10-3-4-25-13(7-10)32(24,30)31/h3-4,6-8,12H,1-2,5H2,(H2,24,30,31)(H,25,27,29)/t12-/m0/s1
InChIKeyMESOZJTUFKLEPA-LBPRGKRZSA-N
MW483.39 g/mol
LogP2.93
Rot. Bonds4

About N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide

N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 146525690) has the molecular formula C17H15F6N5O3S and a molecular weight of 483.39 g/mol. Its IUPAC name is N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID146525690
Molecular FormulaC17H15F6N5O3S
Molecular Weight483.39 g/mol
Exact Mass483.08
IUPAC NameN-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCC[C@H]2C(F)(F)F)ccn1
InChIInChI=1S/C17H15F6N5O3S/c18-16(19,20)9-6-11(14(26-8-9)28-5-1-2-12(28)17(21,22)23)15(29)27-10-3-4-25-13(7-10)32(24,30)31/h3-4,6-8,12H,1-2,5H2,(H2,24,30,31)(H,25,27,29)/t12-/m0/s1
InChIKeyMESOZJTUFKLEPA-LBPRGKRZSA-N
XLogP2.93
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide (CID 146525690) is N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide is NS(=O)(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCC[C@H]2C(F)(F)F)ccn1.
What is the InChIKey of N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is MESOZJTUFKLEPA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H15F6N5O3S/c18-16(19,20)9-6-11(14(26-8-9)28-5-1-2-12(28)17(21,22)23)15(29)27-10-3-4-25-13(7-10)32(24,30)31/h3-4,6-8,12H,1-2,5H2,(H2,24,30,31)(H,25,27,29)/t12-/m0/s1.
What are the key properties of N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 483.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 146525690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).