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

C12H7ClF3N3O2S2 — CID 176710981

IUPAC6-chloro-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1ncc(C(F)(F)F)s1)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C12H7ClF3N3O2S2/c13-6-1-2-7-8(3-6)17-4-9(7)23(20,21)19-11-18-5-10(22-11)12(14,15)16/h1-5,17H,(H,18,19)
InChIKeyPNVRYBZXXHHTFI-UHFFFAOYSA-N
MW381.79 g/mol
LogP4.10
Rot. Bonds3

About 6-chloro-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-indole-3-sulfonamide

6-chloro-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-indole-3-sulfonamide (PubChem CID 176710981) has the molecular formula C12H7ClF3N3O2S2 and a molecular weight of 381.79 g/mol. Its IUPAC name is 6-chloro-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-indole-3-sulfonamide
PubChem CID176710981
Molecular FormulaC12H7ClF3N3O2S2
Molecular Weight381.79 g/mol
Exact Mass380.96
IUPAC Name6-chloro-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1ncc(C(F)(F)F)s1)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C12H7ClF3N3O2S2/c13-6-1-2-7-8(3-6)17-4-9(7)23(20,21)19-11-18-5-10(22-11)12(14,15)16/h1-5,17H,(H,18,19)
InChIKeyPNVRYBZXXHHTFI-UHFFFAOYSA-N
XLogP4.10
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.79
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-indole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11174268, Example 298
CID 134585288
6-chloro-N-(4-chloro-5-methyl-1,2-thiazol-3-yl)-1H-indole-3-sulfonamide
CID 170733283
4-[(E)-1H-indol-3-ylmethyleneamino]-N-thiazol-2-yl-benzenesulfonamide
CID 135883351
N-(3-chloro-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide
CID 171055506
2-(6-chloro-5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 88544262
6-chloro-N-(3,6-difluoro-5-propan-2-yl-2-pyridinyl)-1H-indole-3-sulfonamide
CID 135187082
6-chloro-N-(3,6-difluoro-5-methyl-2-pyridinyl)-7-fluoro-1H-indole-3-sulfonamide
CID 135187094
6-chloro-N-(5-chloro-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide
CID 135187121
6-chloro-N-(5-fluoro-1,3-benzothiazol-6-yl)-1H-indole-3-sulfonamide
CID 135187131
6-chloro-N-(3,6-difluoro-5-prop-1-en-2-yl-2-pyridinyl)-1H-indole-3-sulfonamide
CID 135187134
6-chloro-N-(5-chloro-3-fluoro-6-methyl-2-pyridinyl)-1H-indole-3-sulfonamide
CID 135187170
6-chloro-N-(3-fluoro-5-methyl-2-pyridinyl)-1H-indole-3-sulfonamide
CID 135191790

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-indole-3-sulfonamide (CID 176710981) is 6-chloro-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-indole-3-sulfonamide is O=S(=O)(Nc1ncc(C(F)(F)F)s1)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-indole-3-sulfonamide?
The InChIKey is PNVRYBZXXHHTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N3O2S2/c13-6-1-2-7-8(3-6)17-4-9(7)23(20,21)19-11-18-5-10(22-11)12(14,15)16/h1-5,17H,(H,18,19).
What are the key properties of 6-chloro-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-indole-3-sulfonamide?
6-chloro-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-indole-3-sulfonamide has a molecular weight of 381.79 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-indole-3-sulfonamide is sourced from PubChem (CID 176710981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).