N-cyclopropyl-4-methyl-3-[1-[4-(trifluoromethyl)phenyl]sulfonylindazol-5-yl]benzamide

C25H20F3N3O3S — CID 10006129

IUPACN-cyclopropyl-4-methyl-3-[1-[4-(trifluoromethyl)phenyl]sulfonylindazol-5-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C25H20F3N3O3S/c1-15-2-3-17(24(32)30-20-7-8-20)13-22(15)16-4-11-23-18(12-16)14-29-31(23)35(33,34)21-9-5-19(6-10-21)25(26,27)28/h2-6,9-14,20H,7-8H2,1H3,(H,30,32)
InChIKeyDDVWKMGJYYLABE-UHFFFAOYSA-N
MW499.51 g/mol
LogP5.16
Rot. Bonds5

About N-cyclopropyl-4-methyl-3-[1-[4-(trifluoromethyl)phenyl]sulfonylindazol-5-yl]benzamide

N-cyclopropyl-4-methyl-3-[1-[4-(trifluoromethyl)phenyl]sulfonylindazol-5-yl]benzamide (PubChem CID 10006129) has the molecular formula C25H20F3N3O3S and a molecular weight of 499.51 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-[4-(trifluoromethyl)phenyl]sulfonylindazol-5-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-[4-(trifluoromethyl)phenyl]sulfonylindazol-5-yl]benzamide
PubChem CID10006129
Molecular FormulaC25H20F3N3O3S
Molecular Weight499.51 g/mol
Exact Mass499.12
IUPAC NameN-cyclopropyl-4-methyl-3-[1-[4-(trifluoromethyl)phenyl]sulfonylindazol-5-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C25H20F3N3O3S/c1-15-2-3-17(24(32)30-20-7-8-20)13-22(15)16-4-11-23-18(12-16)14-29-31(23)35(33,34)21-9-5-19(6-10-21)25(26,27)28/h2-6,9-14,20H,7-8H2,1H3,(H,30,32)
InChIKeyDDVWKMGJYYLABE-UHFFFAOYSA-N
XLogP5.16
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.51
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[1-[4-(trifluoromethyl)phenyl]sulfonylindazol-5-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-[4-(trifluoromethyl)phenyl]sulfonylindazol-5-yl]benzamide (CID 10006129) is N-cyclopropyl-4-methyl-3-[1-[4-(trifluoromethyl)phenyl]sulfonylindazol-5-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-[4-(trifluoromethyl)phenyl]sulfonylindazol-5-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-[4-(trifluoromethyl)phenyl]sulfonylindazol-5-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-[4-(trifluoromethyl)phenyl]sulfonylindazol-5-yl]benzamide?
The InChIKey is DDVWKMGJYYLABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O3S/c1-15-2-3-17(24(32)30-20-7-8-20)13-22(15)16-4-11-23-18(12-16)14-29-31(23)35(33,34)21-9-5-19(6-10-21)25(26,27)28/h2-6,9-14,20H,7-8H2,1H3,(H,30,32).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-[4-(trifluoromethyl)phenyl]sulfonylindazol-5-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-[4-(trifluoromethyl)phenyl]sulfonylindazol-5-yl]benzamide has a molecular weight of 499.51 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[1-[4-(trifluoromethyl)phenyl]sulfonylindazol-5-yl]benzamide is sourced from PubChem (CID 10006129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).