N-(1-methylindazol-7-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide

C18H15F3N6O2S — CID 170969248

IUPACN-(1-methylindazol-7-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
SMILESCc1cnc(-n2cc(S(=O)(=O)Nc3cccc4cnn(C)c34)cn2)cc1C(F)(F)F
InChIInChI=1S/C18H15F3N6O2S/c1-11-7-22-16(6-14(11)18(19,20)21)27-10-13(9-24-27)30(28,29)25-15-5-3-4-12-8-23-26(2)17(12)15/h3-10,25H,1-2H3
InChIKeyWNGGFAJNFMGENU-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.28
Rot. Bonds4

About N-(1-methylindazol-7-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide

N-(1-methylindazol-7-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide (PubChem CID 170969248) has the molecular formula C18H15F3N6O2S and a molecular weight of 436.42 g/mol. Its IUPAC name is N-(1-methylindazol-7-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-methylindazol-7-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
PubChem CID170969248
Molecular FormulaC18H15F3N6O2S
Molecular Weight436.42 g/mol
Exact Mass436.09
IUPAC NameN-(1-methylindazol-7-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
SMILESCc1cnc(-n2cc(S(=O)(=O)Nc3cccc4cnn(C)c34)cn2)cc1C(F)(F)F
InChIInChI=1S/C18H15F3N6O2S/c1-11-7-22-16(6-14(11)18(19,20)21)27-10-13(9-24-27)30(28,29)25-15-5-3-4-12-8-23-26(2)17(12)15/h3-10,25H,1-2H3
InChIKeyWNGGFAJNFMGENU-UHFFFAOYSA-N
XLogP3.28
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 59177085
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Frequently Asked Questions

What is the IUPAC name of N-(1-methylindazol-7-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(1-methylindazol-7-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide (CID 170969248) is N-(1-methylindazol-7-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-methylindazol-7-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-methylindazol-7-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide is Cc1cnc(-n2cc(S(=O)(=O)Nc3cccc4cnn(C)c34)cn2)cc1C(F)(F)F.
What is the InChIKey of N-(1-methylindazol-7-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
The InChIKey is WNGGFAJNFMGENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O2S/c1-11-7-22-16(6-14(11)18(19,20)21)27-10-13(9-24-27)30(28,29)25-15-5-3-4-12-8-23-26(2)17(12)15/h3-10,25H,1-2H3.
What are the key properties of N-(1-methylindazol-7-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
N-(1-methylindazol-7-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide has a molecular weight of 436.42 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindazol-7-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 170969248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).