N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide

C12H8F3N3O2S2 — CID 170949699

IUPACN-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1cccc2c(C(F)(F)F)c[nH]c12)c1cncs1
InChIInChI=1S/C12H8F3N3O2S2/c13-12(14,15)8-4-17-11-7(8)2-1-3-9(11)18-22(19,20)10-5-16-6-21-10/h1-6,17-18H
InChIKeyDCPGJBGUONNHAK-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.44
Rot. Bonds3

About N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide

N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide (PubChem CID 170949699) 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-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide
PubChem CID170949699
Molecular FormulaC12H8F3N3O2S2
Molecular Weight347.34 g/mol
Exact Mass347.00
IUPAC NameN-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1cccc2c(C(F)(F)F)c[nH]c12)c1cncs1
InChIInChI=1S/C12H8F3N3O2S2/c13-12(14,15)8-4-17-11-7(8)2-1-3-9(11)18-22(19,20)10-5-16-6-21-10/h1-6,17-18H
InChIKeyDCPGJBGUONNHAK-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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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide (CID 170949699) is N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide is O=S(=O)(Nc1cccc2c(C(F)(F)F)c[nH]c12)c1cncs1.
What is the InChIKey of N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide?
The InChIKey is DCPGJBGUONNHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O2S2/c13-12(14,15)8-4-17-11-7(8)2-1-3-9(11)18-22(19,20)10-5-16-6-21-10/h1-6,17-18H.
What are the key properties of N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide?
N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-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-5-sulfonamide is sourced from PubChem (CID 170949699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).