2-methyl-3-pyridin-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide

C18H15F3N4O2S — CID 175707097

IUPAC2-methyl-3-pyridin-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
SMILESCc1c(S(N)(=O)=O)ccc(Nc2ccc(C(F)(F)F)cn2)c1-c1ccccn1
InChIInChI=1S/C18H15F3N4O2S/c1-11-15(28(22,26)27)7-6-14(17(11)13-4-2-3-9-23-13)25-16-8-5-12(10-24-16)18(19,20)21/h2-10H,1H3,(H,24,25)(H2,22,26,27)
InChIKeyFUEBWVAPTRPIDQ-UHFFFAOYSA-N
MW408.41 g/mol
LogP3.86
Rot. Bonds4

About 2-methyl-3-pyridin-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide

2-methyl-3-pyridin-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide (PubChem CID 175707097) has the molecular formula C18H15F3N4O2S and a molecular weight of 408.41 g/mol. Its IUPAC name is 2-methyl-3-pyridin-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-3-pyridin-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
PubChem CID175707097
Molecular FormulaC18H15F3N4O2S
Molecular Weight408.41 g/mol
Exact Mass408.09
IUPAC Name2-methyl-3-pyridin-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
SMILESCc1c(S(N)(=O)=O)ccc(Nc2ccc(C(F)(F)F)cn2)c1-c1ccccn1
InChIInChI=1S/C18H15F3N4O2S/c1-11-15(28(22,26)27)7-6-14(17(11)13-4-2-3-9-23-13)25-16-8-5-12(10-24-16)18(19,20)21/h2-10H,1H3,(H,24,25)(H2,22,26,27)
InChIKeyFUEBWVAPTRPIDQ-UHFFFAOYSA-N
XLogP3.86
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyridin-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide?
The IUPAC name of 2-methyl-3-pyridin-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide (CID 175707097) is 2-methyl-3-pyridin-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide.
What is the SMILES notation for 2-methyl-3-pyridin-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide?
The canonical SMILES for 2-methyl-3-pyridin-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide is Cc1c(S(N)(=O)=O)ccc(Nc2ccc(C(F)(F)F)cn2)c1-c1ccccn1.
What is the InChIKey of 2-methyl-3-pyridin-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide?
The InChIKey is FUEBWVAPTRPIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2S/c1-11-15(28(22,26)27)7-6-14(17(11)13-4-2-3-9-23-13)25-16-8-5-12(10-24-16)18(19,20)21/h2-10H,1H3,(H,24,25)(H2,22,26,27).
What are the key properties of 2-methyl-3-pyridin-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide?
2-methyl-3-pyridin-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide has a molecular weight of 408.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyridin-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide is sourced from PubChem (CID 175707097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).