N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide

C19H15F3N4O3S — CID 23122623

IUPACN-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(C(F)(F)F)cc2NC(=O)c2cccnc2)cc1
InChIInChI=1S/C19H15F3N4O3S/c1-12-4-6-15(7-5-12)30(28,29)26-17-16(9-14(11-24-17)19(20,21)22)25-18(27)13-3-2-8-23-10-13/h2-11H,1H3,(H,24,26)(H,25,27)
InChIKeyUNEREXSCKXYDNC-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.86
Rot. Bonds5

About N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide

N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 23122623) has the molecular formula C19H15F3N4O3S and a molecular weight of 436.42 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
PubChem CID23122623
Molecular FormulaC19H15F3N4O3S
Molecular Weight436.42 g/mol
Exact Mass436.08
IUPAC NameN-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(C(F)(F)F)cc2NC(=O)c2cccnc2)cc1
InChIInChI=1S/C19H15F3N4O3S/c1-12-4-6-15(7-5-12)30(28,29)26-17-16(9-14(11-24-17)19(20,21)22)25-18(27)13-3-2-8-23-10-13/h2-11H,1H3,(H,24,26)(H,25,27)
InChIKeyUNEREXSCKXYDNC-UHFFFAOYSA-N
XLogP3.86
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide (CID 23122623) is N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide is Cc1ccc(S(=O)(=O)Nc2ncc(C(F)(F)F)cc2NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is UNEREXSCKXYDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O3S/c1-12-4-6-15(7-5-12)30(28,29)26-17-16(9-14(11-24-17)19(20,21)22)25-18(27)13-3-2-8-23-10-13/h2-11H,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide?
N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 436.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 23122623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).