N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide

C10H8F3N3O2S — CID 3245100

IUPACN-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cnc[nH]1
InChIInChI=1S/C10H8F3N3O2S/c11-10(12,13)7-2-1-3-8(4-7)16-19(17,18)9-5-14-6-15-9/h1-6,16H,(H,14,15)
InChIKeyJZLCAQFOEYBCAY-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.23
Rot. Bonds3

About N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide

N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide (PubChem CID 3245100) has the molecular formula C10H8F3N3O2S and a molecular weight of 291.25 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide
PubChem CID3245100
Molecular FormulaC10H8F3N3O2S
Molecular Weight291.25 g/mol
Exact Mass291.03
IUPAC NameN-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cnc[nH]1
InChIInChI=1S/C10H8F3N3O2S/c11-10(12,13)7-2-1-3-8(4-7)16-19(17,18)9-5-14-6-15-9/h1-6,16H,(H,14,15)
InChIKeyJZLCAQFOEYBCAY-UHFFFAOYSA-N
XLogP2.23
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide (CID 3245100) is N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide is O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cnc[nH]1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide?
The InChIKey is JZLCAQFOEYBCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2S/c11-10(12,13)7-2-1-3-8(4-7)16-19(17,18)9-5-14-6-15-9/h1-6,16H,(H,14,15).
What are the key properties of N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide?
N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide has a molecular weight of 291.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 3245100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).