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

C13H12F3N3O2S — CID 155343072

IUPAC2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
SMILESCc1cc(Nc2ccc(C(F)(F)F)cn2)ccc1S(N)(=O)=O
InChIInChI=1S/C13H12F3N3O2S/c1-8-6-10(3-4-11(8)22(17,20)21)19-12-5-2-9(7-18-12)13(14,15)16/h2-7H,1H3,(H,18,19)(H2,17,20,21)
InChIKeyZGARZFUBIXTUGH-UHFFFAOYSA-N
MW331.32 g/mol
LogP2.80
Rot. Bonds3

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

2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide (PubChem CID 155343072) has the molecular formula C13H12F3N3O2S and a molecular weight of 331.32 g/mol. Its IUPAC name is 2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
PubChem CID155343072
Molecular FormulaC13H12F3N3O2S
Molecular Weight331.32 g/mol
Exact Mass331.06
IUPAC Name2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
SMILESCc1cc(Nc2ccc(C(F)(F)F)cn2)ccc1S(N)(=O)=O
InChIInChI=1S/C13H12F3N3O2S/c1-8-6-10(3-4-11(8)22(17,20)21)19-12-5-2-9(7-18-12)13(14,15)16/h2-7H,1H3,(H,18,19)(H2,17,20,21)
InChIKeyZGARZFUBIXTUGH-UHFFFAOYSA-N
XLogP2.80
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-pyridin-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
CID 175707097
2-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzoic acid
CID 60862551
N-(2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 2097688
2-methyl-4-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide
CID 175544581
2-methyl-4-(methylamino)benzenesulfonamide
CID 71282580
6-N-(3-ethylsulfonylphenyl)-4-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,6-diamine
CID 159988066
2-(trideuteriomethyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
CID 175749214
3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide
CID 43246591
3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide
CID 47299073
3-amino-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]butanamide
CID 119894014
(2S)-6-N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine
CID 118694773
[5-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 1477642

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide?
The IUPAC name of 2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide (CID 155343072) is 2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide.
What is the SMILES notation for 2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide?
The canonical SMILES for 2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide is Cc1cc(Nc2ccc(C(F)(F)F)cn2)ccc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide?
The InChIKey is ZGARZFUBIXTUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2S/c1-8-6-10(3-4-11(8)22(17,20)21)19-12-5-2-9(7-18-12)13(14,15)16/h2-7H,1H3,(H,18,19)(H2,17,20,21).
What are the key properties of 2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide?
2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide has a molecular weight of 331.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide is sourced from PubChem (CID 155343072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).