5-[(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C20H16F3N3O4S — CID 6624287

IUPAC5-[(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2cncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C20H16F3N3O4S/c1-30-17-6-8-18(9-7-17)31(28,29)26-16-10-13(11-24-12-16)19(27)25-15-4-2-14(3-5-15)20(21,22)23/h2-12,26H,1H3,(H,25,27)
InChIKeyGLQPDZZPLONCPV-UHFFFAOYSA-N
MW451.43 g/mol
LogP4.16
Rot. Bonds6

About 5-[(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

5-[(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 6624287) has the molecular formula C20H16F3N3O4S and a molecular weight of 451.43 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID6624287
Molecular FormulaC20H16F3N3O4S
Molecular Weight451.43 g/mol
Exact Mass451.08
IUPAC Name5-[(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2cncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C20H16F3N3O4S/c1-30-17-6-8-18(9-7-17)31(28,29)26-16-10-13(11-24-12-16)19(27)25-15-4-2-14(3-5-15)20(21,22)23/h2-12,26H,1H3,(H,25,27)
InChIKeyGLQPDZZPLONCPV-UHFFFAOYSA-N
XLogP4.16
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.43
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Way-151693
CID 4368
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N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-5-[3-(trifluoromethyl)phenyl]benzamide
CID 44309330
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6-chloro-N-{3-[(4-methoxyphenyl)sulfamoyl]phenyl}pyridine-3-carboxamide
CID 3248530
4-Methoxy-benzenesulfonic acid 2-[(pyridine-4-carbonyl)-amino]-phenyl ester
CID 9977312
N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-amino]-3,5-dimethyl-benzamide
CID 21310829
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-5-phenylbenzamide
CID 44309437
US10370333, Example XII-5
CID 56684192
4-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70572703
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CID 89768344

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-[(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 6624287) is 5-[(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is COc1ccc(S(=O)(=O)Nc2cncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is GLQPDZZPLONCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O4S/c1-30-17-6-8-18(9-7-17)31(28,29)26-16-10-13(11-24-12-16)19(27)25-15-4-2-14(3-5-15)20(21,22)23/h2-12,26H,1H3,(H,25,27).
What are the key properties of 5-[(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
5-[(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 451.43 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 6624287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).