4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide

C14H11F3N4O2S2 — CID 10430343

IUPAC4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESCc1nc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)cs1
InChIInChI=1S/C14H11F3N4O2S2/c1-8-19-11(7-24-8)13-20-12(14(15,16)17)6-21(13)9-2-4-10(5-3-9)25(18,22)23/h2-7H,1H3,(H2,18,22,23)
InChIKeyQKBNYDSLPAUAJP-UHFFFAOYSA-N
MW388.40 g/mol
LogP2.97
Rot. Bonds3

About 4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide

4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (PubChem CID 10430343) has the molecular formula C14H11F3N4O2S2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
PubChem CID10430343
Molecular FormulaC14H11F3N4O2S2
Molecular Weight388.40 g/mol
Exact Mass388.03
IUPAC Name4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESCc1nc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)cs1
InChIInChI=1S/C14H11F3N4O2S2/c1-8-19-11(7-24-8)13-20-12(14(15,16)17)6-21(13)9-2-4-10(5-3-9)25(18,22)23/h2-7H,1H3,(H2,18,22,23)
InChIKeyQKBNYDSLPAUAJP-UHFFFAOYSA-N
XLogP2.97
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (CID 10430343) is 4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is Cc1nc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)cs1.
What is the InChIKey of 4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The InChIKey is QKBNYDSLPAUAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O2S2/c1-8-19-11(7-24-8)13-20-12(14(15,16)17)6-21(13)9-2-4-10(5-3-9)25(18,22)23/h2-7H,1H3,(H2,18,22,23).
What are the key properties of 4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide has a molecular weight of 388.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10430343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).