N-cyclopropylsulfonyl-4-(trifluoromethyl)quinoline-2-carboxamide

C14H11F3N2O3S — CID 175901637

IUPACN-cyclopropylsulfonyl-4-(trifluoromethyl)quinoline-2-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)c1cc(C(F)(F)F)c2ccccc2n1
InChIInChI=1S/C14H11F3N2O3S/c15-14(16,17)10-7-12(18-11-4-2-1-3-9(10)11)13(20)19-23(21,22)8-5-6-8/h1-4,7-8H,5-6H2,(H,19,20)
InChIKeyPXCGFGCNJLRQAY-UHFFFAOYSA-N
MW344.31 g/mol
LogP2.48
Rot. Bonds3

About N-cyclopropylsulfonyl-4-(trifluoromethyl)quinoline-2-carboxamide

N-cyclopropylsulfonyl-4-(trifluoromethyl)quinoline-2-carboxamide (PubChem CID 175901637) has the molecular formula C14H11F3N2O3S and a molecular weight of 344.31 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-4-(trifluoromethyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-4-(trifluoromethyl)quinoline-2-carboxamide
PubChem CID175901637
Molecular FormulaC14H11F3N2O3S
Molecular Weight344.31 g/mol
Exact Mass344.04
IUPAC NameN-cyclopropylsulfonyl-4-(trifluoromethyl)quinoline-2-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)c1cc(C(F)(F)F)c2ccccc2n1
InChIInChI=1S/C14H11F3N2O3S/c15-14(16,17)10-7-12(18-11-4-2-1-3-9(10)11)13(20)19-23(21,22)8-5-6-8/h1-4,7-8H,5-6H2,(H,19,20)
InChIKeyPXCGFGCNJLRQAY-UHFFFAOYSA-N
XLogP2.48
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-4-(trifluoromethyl)quinoline-2-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-4-(trifluoromethyl)quinoline-2-carboxamide (CID 175901637) is N-cyclopropylsulfonyl-4-(trifluoromethyl)quinoline-2-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-4-(trifluoromethyl)quinoline-2-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-4-(trifluoromethyl)quinoline-2-carboxamide is O=C(NS(=O)(=O)C1CC1)c1cc(C(F)(F)F)c2ccccc2n1.
What is the InChIKey of N-cyclopropylsulfonyl-4-(trifluoromethyl)quinoline-2-carboxamide?
The InChIKey is PXCGFGCNJLRQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O3S/c15-14(16,17)10-7-12(18-11-4-2-1-3-9(10)11)13(20)19-23(21,22)8-5-6-8/h1-4,7-8H,5-6H2,(H,19,20).
What are the key properties of N-cyclopropylsulfonyl-4-(trifluoromethyl)quinoline-2-carboxamide?
N-cyclopropylsulfonyl-4-(trifluoromethyl)quinoline-2-carboxamide has a molecular weight of 344.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-4-(trifluoromethyl)quinoline-2-carboxamide is sourced from PubChem (CID 175901637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).