N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide

C12H8F3N3O2S2 — CID 171664667

IUPACN-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide
SMILESO=S(=O)(Nc1cccc2c(C(F)(F)F)c[nH]c12)c1nccs1
InChIInChI=1S/C12H8F3N3O2S2/c13-12(14,15)8-6-17-10-7(8)2-1-3-9(10)18-22(19,20)11-16-4-5-21-11/h1-6,17-18H
InChIKeyAXFHWTLFKWLHHM-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.44
Rot. Bonds3

About N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide

N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide (PubChem CID 171664667) has the molecular formula C12H8F3N3O2S2 and a molecular weight of 347.34 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide
PubChem CID171664667
Molecular FormulaC12H8F3N3O2S2
Molecular Weight347.34 g/mol
Exact Mass347.00
IUPAC NameN-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide
SMILESO=S(=O)(Nc1cccc2c(C(F)(F)F)c[nH]c12)c1nccs1
InChIInChI=1S/C12H8F3N3O2S2/c13-12(14,15)8-6-17-10-7(8)2-1-3-9(10)18-22(19,20)11-16-4-5-21-11/h1-6,17-18H
InChIKeyAXFHWTLFKWLHHM-UHFFFAOYSA-N
XLogP3.44
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Camalexin
CID 636970
4-(1H-indol-3-ylmethyl)-1,3-thiazole
CID 11528610
N-[3-(1-Benzothiazol-6-yl-1-ethyl-propyl)-1H-indol-7-yl]-methanesulfonamide
CID 58731243
6-Fluorocamalexin
CID 44436458
2-(6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-1,3-thiazole;hydrochloride
CID 168286081
5-Fluorocamalexin
CID 11390334
Thiazole-2-sulfonic acid quinolin-8-ylamide
CID 60164190
N-(1H-indol-5-yl)thiophene-2-sulfonamide
CID 2814512
2-(9H-pyrido[3,4-b]indol-1-yl)-1,3-thiazole
CID 168292176
2,2,2-trifluoro-N-(1H-indol-7-yl)ethanesulfonamide
CID 172435587
Indolylthiazole
CID 20076847
N-(3-chloro-4-fluoro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
CID 170949454

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide?
The IUPAC name of N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide (CID 171664667) is N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide?
The canonical SMILES for N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide is O=S(=O)(Nc1cccc2c(C(F)(F)F)c[nH]c12)c1nccs1.
What is the InChIKey of N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide?
The InChIKey is AXFHWTLFKWLHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O2S2/c13-12(14,15)8-6-17-10-7(8)2-1-3-9(10)18-22(19,20)11-16-4-5-21-11/h1-6,17-18H.
What are the key properties of N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide?
N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide has a molecular weight of 347.34 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 171664667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).