N-benzyl-1-(difluoromethyl)-5-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-sulfonamide

C19H20F2N4O2S — CID 46957258

IUPACN-benzyl-1-(difluoromethyl)-5-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-sulfonamide
SMILESCc1cccnc1CN(Cc1ccccc1)S(=O)(=O)c1cnn(C(F)F)c1C
InChIInChI=1S/C19H20F2N4O2S/c1-14-7-6-10-22-17(14)13-24(12-16-8-4-3-5-9-16)28(26,27)18-11-23-25(15(18)2)19(20)21/h3-11,19H,12-13H2,1-2H3
InChIKeyBYOSOYIRMHUOPV-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.68
Rot. Bonds7

About N-benzyl-1-(difluoromethyl)-5-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-sulfonamide

N-benzyl-1-(difluoromethyl)-5-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-sulfonamide (PubChem CID 46957258) has the molecular formula C19H20F2N4O2S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-benzyl-1-(difluoromethyl)-5-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-1-(difluoromethyl)-5-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-sulfonamide
PubChem CID46957258
Molecular FormulaC19H20F2N4O2S
Molecular Weight406.46 g/mol
Exact Mass406.13
IUPAC NameN-benzyl-1-(difluoromethyl)-5-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-sulfonamide
SMILESCc1cccnc1CN(Cc1ccccc1)S(=O)(=O)c1cnn(C(F)F)c1C
InChIInChI=1S/C19H20F2N4O2S/c1-14-7-6-10-22-17(14)13-24(12-16-8-4-3-5-9-16)28(26,27)18-11-23-25(15(18)2)19(20)21/h3-11,19H,12-13H2,1-2H3
InChIKeyBYOSOYIRMHUOPV-UHFFFAOYSA-N
XLogP3.68
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(difluoromethyl)-5-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of N-benzyl-1-(difluoromethyl)-5-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-sulfonamide (CID 46957258) is N-benzyl-1-(difluoromethyl)-5-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-1-(difluoromethyl)-5-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-benzyl-1-(difluoromethyl)-5-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-sulfonamide is Cc1cccnc1CN(Cc1ccccc1)S(=O)(=O)c1cnn(C(F)F)c1C.
What is the InChIKey of N-benzyl-1-(difluoromethyl)-5-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is BYOSOYIRMHUOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O2S/c1-14-7-6-10-22-17(14)13-24(12-16-8-4-3-5-9-16)28(26,27)18-11-23-25(15(18)2)19(20)21/h3-11,19H,12-13H2,1-2H3.
What are the key properties of N-benzyl-1-(difluoromethyl)-5-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-sulfonamide?
N-benzyl-1-(difluoromethyl)-5-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-sulfonamide has a molecular weight of 406.46 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(difluoromethyl)-5-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 46957258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).