N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide

C19H15F4N3O3S — CID 155520010

IUPACN-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide
SMILESCn1nc(-c2ccc(C(F)(F)F)cc2)c2cc(F)c(C(=O)NS(=O)(=O)C3CC3)cc21
InChIInChI=1S/C19H15F4N3O3S/c1-26-16-9-13(18(27)25-30(28,29)12-6-7-12)15(20)8-14(16)17(24-26)10-2-4-11(5-3-10)19(21,22)23/h2-5,8-9,12H,6-7H2,1H3,(H,25,27)
InChIKeyVQSVXNBRYCHOIV-UHFFFAOYSA-N
MW441.41 g/mol
LogP3.62
Rot. Bonds4

About N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide

N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide (PubChem CID 155520010) has the molecular formula C19H15F4N3O3S and a molecular weight of 441.41 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide
PubChem CID155520010
Molecular FormulaC19H15F4N3O3S
Molecular Weight441.41 g/mol
Exact Mass441.08
IUPAC NameN-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide
SMILESCn1nc(-c2ccc(C(F)(F)F)cc2)c2cc(F)c(C(=O)NS(=O)(=O)C3CC3)cc21
InChIInChI=1S/C19H15F4N3O3S/c1-26-16-9-13(18(27)25-30(28,29)12-6-7-12)15(20)8-14(16)17(24-26)10-2-4-11(5-3-10)19(21,22)23/h2-5,8-9,12H,6-7H2,1H3,(H,25,27)
InChIKeyVQSVXNBRYCHOIV-UHFFFAOYSA-N
XLogP3.62
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide (CID 155520010) is N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide is Cn1nc(-c2ccc(C(F)(F)F)cc2)c2cc(F)c(C(=O)NS(=O)(=O)C3CC3)cc21.
What is the InChIKey of N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide?
The InChIKey is VQSVXNBRYCHOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O3S/c1-26-16-9-13(18(27)25-30(28,29)12-6-7-12)15(20)8-14(16)17(24-26)10-2-4-11(5-3-10)19(21,22)23/h2-5,8-9,12H,6-7H2,1H3,(H,25,27).
What are the key properties of N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide?
N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide has a molecular weight of 441.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide is sourced from PubChem (CID 155520010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).