N-pyridin-3-ylsulfonyl-2,4-bis(trifluoromethyl)benzamide

C14H8F6N2O3S — CID 24998164

IUPACN-pyridin-3-ylsulfonyl-2,4-bis(trifluoromethyl)benzamide
SMILESO=C(NS(=O)(=O)c1cccnc1)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C14H8F6N2O3S/c15-13(16,17)8-3-4-10(11(6-8)14(18,19)20)12(23)22-26(24,25)9-2-1-5-21-7-9/h1-7H,(H,22,23)
InChIKeyPCLKOSNQHWHRLX-UHFFFAOYSA-N
MW398.28 g/mol
LogP3.24
Rot. Bonds3

About N-pyridin-3-ylsulfonyl-2,4-bis(trifluoromethyl)benzamide

N-pyridin-3-ylsulfonyl-2,4-bis(trifluoromethyl)benzamide (PubChem CID 24998164) has the molecular formula C14H8F6N2O3S and a molecular weight of 398.28 g/mol. Its IUPAC name is N-pyridin-3-ylsulfonyl-2,4-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-pyridin-3-ylsulfonyl-2,4-bis(trifluoromethyl)benzamide
PubChem CID24998164
Molecular FormulaC14H8F6N2O3S
Molecular Weight398.28 g/mol
Exact Mass398.02
IUPAC NameN-pyridin-3-ylsulfonyl-2,4-bis(trifluoromethyl)benzamide
SMILESO=C(NS(=O)(=O)c1cccnc1)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C14H8F6N2O3S/c15-13(16,17)8-3-4-10(11(6-8)14(18,19)20)12(23)22-26(24,25)9-2-1-5-21-7-9/h1-7H,(H,22,23)
InChIKeyPCLKOSNQHWHRLX-UHFFFAOYSA-N
XLogP3.24
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-ylsulfonyl-2,4-bis(trifluoromethyl)benzamide?
The IUPAC name of N-pyridin-3-ylsulfonyl-2,4-bis(trifluoromethyl)benzamide (CID 24998164) is N-pyridin-3-ylsulfonyl-2,4-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-pyridin-3-ylsulfonyl-2,4-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-pyridin-3-ylsulfonyl-2,4-bis(trifluoromethyl)benzamide is O=C(NS(=O)(=O)c1cccnc1)c1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of N-pyridin-3-ylsulfonyl-2,4-bis(trifluoromethyl)benzamide?
The InChIKey is PCLKOSNQHWHRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6N2O3S/c15-13(16,17)8-3-4-10(11(6-8)14(18,19)20)12(23)22-26(24,25)9-2-1-5-21-7-9/h1-7H,(H,22,23).
What are the key properties of N-pyridin-3-ylsulfonyl-2,4-bis(trifluoromethyl)benzamide?
N-pyridin-3-ylsulfonyl-2,4-bis(trifluoromethyl)benzamide has a molecular weight of 398.28 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-ylsulfonyl-2,4-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 24998164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).