N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide

C18H13ClF3N3O2S — CID 2800741

IUPACN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1cccnc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C18H13ClF3N3O2S/c19-16-9-14(18(20,21)22)11-24-17(16)25(12-13-5-4-8-23-10-13)28(26,27)15-6-2-1-3-7-15/h1-11H,12H2
InChIKeyQGARGPDWWFZHQW-UHFFFAOYSA-N
MW427.84 g/mol
LogP4.54
Rot. Bonds5

About N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 2800741) has the molecular formula C18H13ClF3N3O2S and a molecular weight of 427.84 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID2800741
Molecular FormulaC18H13ClF3N3O2S
Molecular Weight427.84 g/mol
Exact Mass427.04
IUPAC NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1cccnc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C18H13ClF3N3O2S/c19-16-9-14(18(20,21)22)11-24-17(16)25(12-13-5-4-8-23-10-13)28(26,27)15-6-2-1-3-7-15/h1-11H,12H2
InChIKeyQGARGPDWWFZHQW-UHFFFAOYSA-N
XLogP4.54
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.84
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methylbenzenesulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484979
1-(Phenylsulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 44237012
Arylsulfonylpiperazine, 17
CID 44237022
Arylsulfonylpiperazine, 20
CID 44237024
Arylsulfonylpiperazine, 25
CID 44237028
4-Chloro-1-((4-(2-pyridyl)piperazinyl)sulfonyl)benzene
CID 785520
N-[5-(trifluoromethyl)pyridin-2-yl]benzenesulfonamide
CID 2815858
N-(5-chloropyridin-2-yl)-4-fluorobenzenesulfonamide
CID 794044
1-[(4-Chlorophenyl)sulfonyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 1484981
Arylsulfonylpiperazine, 7
CID 44237015
Arylsulfonylpiperazine, 8
CID 44237016
Arylsulfonylpiperazine, 11
CID 44237018

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 2800741) is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1cccnc1)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is QGARGPDWWFZHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O2S/c19-16-9-14(18(20,21)22)11-24-17(16)25(12-13-5-4-8-23-10-13)28(26,27)15-6-2-1-3-7-15/h1-11H,12H2.
What are the key properties of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 427.84 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2800741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).