N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]benzamide

C19H14F3N3O3S — CID 3043795

IUPACN-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]benzamide
SMILESO=C(NS(=O)(=O)c1cnccc1Nc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C19H14F3N3O3S/c20-19(21,22)14-7-4-8-15(11-14)24-16-9-10-23-12-17(16)29(27,28)25-18(26)13-5-2-1-3-6-13/h1-12H,(H,23,24)(H,25,26)
InChIKeyYDNVBYOTNMPYHX-UHFFFAOYSA-N
MW421.40 g/mol
LogP3.96
Rot. Bonds5

About N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]benzamide

N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]benzamide (PubChem CID 3043795) has the molecular formula C19H14F3N3O3S and a molecular weight of 421.40 g/mol. Its IUPAC name is N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]benzamide.

Molecular Properties

Compound NameN-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]benzamide
PubChem CID3043795
Molecular FormulaC19H14F3N3O3S
Molecular Weight421.40 g/mol
Exact Mass421.07
IUPAC NameN-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]benzamide
SMILESO=C(NS(=O)(=O)c1cnccc1Nc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C19H14F3N3O3S/c20-19(21,22)14-7-4-8-15(11-14)24-16-9-10-23-12-17(16)29(27,28)25-18(26)13-5-2-1-3-6-13/h1-12H,(H,23,24)(H,25,26)
InChIKeyYDNVBYOTNMPYHX-UHFFFAOYSA-N
XLogP3.96
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.40
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]carbamate
CID 1214468
4-chloro-N-[[4-(3,5-dichloroanilino)-3-pyridinyl]sulfonyl]benzamide
CID 25048254
N'-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]pyrrolidine-1-carboximidamide
CID 171984443
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 81240010
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 169307872
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
3-[[6-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 46397739
N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113048977
N-[3-(trifluoromethyl)phenyl]isoquinolin-5-amine
CID 170512982
1-(3-amino-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 63063127
lithium;hydride;1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea;hydrate
CID 173249221

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]benzamide?
The IUPAC name of N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]benzamide (CID 3043795) is N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]benzamide.
What is the SMILES notation for N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]benzamide?
The canonical SMILES for N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]benzamide is O=C(NS(=O)(=O)c1cnccc1Nc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]benzamide?
The InChIKey is YDNVBYOTNMPYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O3S/c20-19(21,22)14-7-4-8-15(11-14)24-16-9-10-23-12-17(16)29(27,28)25-18(26)13-5-2-1-3-6-13/h1-12H,(H,23,24)(H,25,26).
What are the key properties of N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]benzamide?
N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]benzamide has a molecular weight of 421.40 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]benzamide is sourced from PubChem (CID 3043795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).