3-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide

C11H11F3N4O2S — CID 175751638

IUPAC3-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide
SMILESCn1nc(C(F)(F)F)cc1-c1c(N)cccc1S(N)(=O)=O
InChIInChI=1S/C11H11F3N4O2S/c1-18-7(5-9(17-18)11(12,13)14)10-6(15)3-2-4-8(10)21(16,19)20/h2-5H,15H2,1H3,(H2,16,19,20)
InChIKeyMOJLCJZNKLEONG-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.34
Rot. Bonds2

About 3-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide

3-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide (PubChem CID 175751638) has the molecular formula C11H11F3N4O2S and a molecular weight of 320.30 g/mol. Its IUPAC name is 3-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide
PubChem CID175751638
Molecular FormulaC11H11F3N4O2S
Molecular Weight320.30 g/mol
Exact Mass320.06
IUPAC Name3-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide
SMILESCn1nc(C(F)(F)F)cc1-c1c(N)cccc1S(N)(=O)=O
InChIInChI=1S/C11H11F3N4O2S/c1-18-7(5-9(17-18)11(12,13)14)10-6(15)3-2-4-8(10)21(16,19)20/h2-5H,15H2,1H3,(H2,16,19,20)
InChIKeyMOJLCJZNKLEONG-UHFFFAOYSA-N
XLogP1.34
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

CID 1510182
CID 1510182
CID 10135355
CID 10135355
CID 1508669
CID 1508669
CID 3236338
CID 3236338
CID 10740301
CID 10740301
CID 50896780
CID 50896780
CID 71808357
CID 71808357
CID 178295665
CID 178295665
CID 10476470
CID 10476470
CID 3457694
CID 3457694
CID 8124890
CID 8124890
CID 8822589
CID 8822589

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 3-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide (CID 175751638) is 3-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 3-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 3-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide is Cn1nc(C(F)(F)F)cc1-c1c(N)cccc1S(N)(=O)=O.
What is the InChIKey of 3-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
The InChIKey is MOJLCJZNKLEONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2S/c1-18-7(5-9(17-18)11(12,13)14)10-6(15)3-2-4-8(10)21(16,19)20/h2-5H,15H2,1H3,(H2,16,19,20).
What are the key properties of 3-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
3-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide has a molecular weight of 320.30 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 175751638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).