N-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)benzoyl]indole-5-sulfonamide

C19H12F3N3O3S2 — CID 15951395

IUPACN-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)benzoyl]indole-5-sulfonamide
SMILESO=C(c1ccc(C(F)(F)F)cc1)n1ccc2cc(S(=O)(=O)Nc3nccs3)ccc21
InChIInChI=1S/C19H12F3N3O3S2/c20-19(21,22)14-3-1-12(2-4-14)17(26)25-9-7-13-11-15(5-6-16(13)25)30(27,28)24-18-23-8-10-29-18/h1-11H,(H,23,24)
InChIKeyAJIXZTHULVRTGO-UHFFFAOYSA-N
MW451.45 g/mol
LogP4.61
Rot. Bonds4

About N-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)benzoyl]indole-5-sulfonamide

N-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)benzoyl]indole-5-sulfonamide (PubChem CID 15951395) has the molecular formula C19H12F3N3O3S2 and a molecular weight of 451.45 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)benzoyl]indole-5-sulfonamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)benzoyl]indole-5-sulfonamide
PubChem CID15951395
Molecular FormulaC19H12F3N3O3S2
Molecular Weight451.45 g/mol
Exact Mass451.03
IUPAC NameN-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)benzoyl]indole-5-sulfonamide
SMILESO=C(c1ccc(C(F)(F)F)cc1)n1ccc2cc(S(=O)(=O)Nc3nccs3)ccc21
InChIInChI=1S/C19H12F3N3O3S2/c20-19(21,22)14-3-1-12(2-4-14)17(26)25-9-7-13-11-15(5-6-16(13)25)30(27,28)24-18-23-8-10-29-18/h1-11H,(H,23,24)
InChIKeyAJIXZTHULVRTGO-UHFFFAOYSA-N
XLogP4.61
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)benzoyl]indole-5-sulfonamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)benzoyl]indole-5-sulfonamide (CID 15951395) is N-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)benzoyl]indole-5-sulfonamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)benzoyl]indole-5-sulfonamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)benzoyl]indole-5-sulfonamide is O=C(c1ccc(C(F)(F)F)cc1)n1ccc2cc(S(=O)(=O)Nc3nccs3)ccc21.
What is the InChIKey of N-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)benzoyl]indole-5-sulfonamide?
The InChIKey is AJIXZTHULVRTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O3S2/c20-19(21,22)14-3-1-12(2-4-14)17(26)25-9-7-13-11-15(5-6-16(13)25)30(27,28)24-18-23-8-10-29-18/h1-11H,(H,23,24).
What are the key properties of N-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)benzoyl]indole-5-sulfonamide?
N-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)benzoyl]indole-5-sulfonamide has a molecular weight of 451.45 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)benzoyl]indole-5-sulfonamide is sourced from PubChem (CID 15951395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).