3-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzenesulfonamide

C15H15ClF3N3O2S — CID 133286489

IUPAC3-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzenesulfonamide
SMILESCCC(Nc1ncc(C(F)(F)F)cc1Cl)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H15ClF3N3O2S/c1-2-13(9-4-3-5-11(6-9)25(20,23)24)22-14-12(16)7-10(8-21-14)15(17,18)19/h3-8,13H,2H2,1H3,(H,21,22)(H2,20,23,24)
InChIKeyUQSGHJYYOGIVRK-UHFFFAOYSA-N
MW393.82 g/mol
LogP3.96
Rot. Bonds5

About 3-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzenesulfonamide

3-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzenesulfonamide (PubChem CID 133286489) has the molecular formula C15H15ClF3N3O2S and a molecular weight of 393.82 g/mol. Its IUPAC name is 3-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzenesulfonamide
PubChem CID133286489
Molecular FormulaC15H15ClF3N3O2S
Molecular Weight393.82 g/mol
Exact Mass393.05
IUPAC Name3-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzenesulfonamide
SMILESCCC(Nc1ncc(C(F)(F)F)cc1Cl)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H15ClF3N3O2S/c1-2-13(9-4-3-5-11(6-9)25(20,23)24)22-14-12(16)7-10(8-21-14)15(17,18)19/h3-8,13H,2H2,1H3,(H,21,22)(H2,20,23,24)
InChIKeyUQSGHJYYOGIVRK-UHFFFAOYSA-N
XLogP3.96
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.82
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzenesulfonamide?
The IUPAC name of 3-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzenesulfonamide (CID 133286489) is 3-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzenesulfonamide?
The canonical SMILES for 3-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzenesulfonamide is CCC(Nc1ncc(C(F)(F)F)cc1Cl)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzenesulfonamide?
The InChIKey is UQSGHJYYOGIVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O2S/c1-2-13(9-4-3-5-11(6-9)25(20,23)24)22-14-12(16)7-10(8-21-14)15(17,18)19/h3-8,13H,2H2,1H3,(H,21,22)(H2,20,23,24).
What are the key properties of 3-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzenesulfonamide?
3-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzenesulfonamide has a molecular weight of 393.82 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzenesulfonamide is sourced from PubChem (CID 133286489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).