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

C19H12F3N3O3S2 — CID 59432921

IUPACN-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)benzoyl]indole-5-sulfonamide
SMILESO=C(c1ccccc1C(F)(F)F)n1ccc2cc(S(=O)(=O)Nc3nccs3)ccc21
InChIInChI=1S/C19H12F3N3O3S2/c20-19(21,22)15-4-2-1-3-14(15)17(26)25-9-7-12-11-13(5-6-16(12)25)30(27,28)24-18-23-8-10-29-18/h1-11H,(H,23,24)
InChIKeyHKDVGLGUGQGOBY-UHFFFAOYSA-N
MW451.45 g/mol
LogP4.61
Rot. Bonds4

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

N-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)benzoyl]indole-5-sulfonamide (PubChem CID 59432921) 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-[2-(trifluoromethyl)benzoyl]indole-5-sulfonamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)benzoyl]indole-5-sulfonamide
PubChem CID59432921
Molecular FormulaC19H12F3N3O3S2
Molecular Weight451.45 g/mol
Exact Mass451.03
IUPAC NameN-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)benzoyl]indole-5-sulfonamide
SMILESO=C(c1ccccc1C(F)(F)F)n1ccc2cc(S(=O)(=O)Nc3nccs3)ccc21
InChIInChI=1S/C19H12F3N3O3S2/c20-19(21,22)15-4-2-1-3-14(15)17(26)25-9-7-12-11-13(5-6-16(12)25)30(27,28)24-18-23-8-10-29-18/h1-11H,(H,23,24)
InChIKeyHKDVGLGUGQGOBY-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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Related Compounds

1-(3,4-dichlorobenzoyl)-N-(1,3-thiazol-2-yl)indole-5-sulfonamide
CID 59432877
1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)indole-5-sulfonamide
CID 15951116
2-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487462
2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 28536256
2-(phenylcarbamoyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 90474318
1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 59205391
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486353
2-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87483084
3-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 72530804
N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide
CID 16665835
[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azanium tetrafluoroborate
CID 139204733
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)benzoyl]indole-5-sulfonamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)benzoyl]indole-5-sulfonamide (CID 59432921) is N-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)benzoyl]indole-5-sulfonamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)benzoyl]indole-5-sulfonamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)benzoyl]indole-5-sulfonamide is O=C(c1ccccc1C(F)(F)F)n1ccc2cc(S(=O)(=O)Nc3nccs3)ccc21.
What is the InChIKey of N-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)benzoyl]indole-5-sulfonamide?
The InChIKey is HKDVGLGUGQGOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O3S2/c20-19(21,22)15-4-2-1-3-14(15)17(26)25-9-7-12-11-13(5-6-16(12)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-[2-(trifluoromethyl)benzoyl]indole-5-sulfonamide?
N-(1,3-thiazol-2-yl)-1-[2-(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-[2-(trifluoromethyl)benzoyl]indole-5-sulfonamide is sourced from PubChem (CID 59432921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).