N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide

C12H7ClF3N3O2S2 — CID 171664660

IUPACN-(3-chloro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
SMILESO=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H7ClF3N3O2S2/c13-7-4-17-10-6(7)2-1-3-8(10)19-23(20,21)11-18-9(5-22-11)12(14,15)16/h1-5,17,19H
InChIKeyGBUGMCOJPULOQD-UHFFFAOYSA-N
MW381.79 g/mol
LogP4.10
Rot. Bonds3

About N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide

N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide (PubChem CID 171664660) has the molecular formula C12H7ClF3N3O2S2 and a molecular weight of 381.79 g/mol. Its IUPAC name is N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
PubChem CID171664660
Molecular FormulaC12H7ClF3N3O2S2
Molecular Weight381.79 g/mol
Exact Mass380.96
IUPAC NameN-(3-chloro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
SMILESO=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H7ClF3N3O2S2/c13-7-4-17-10-6(7)2-1-3-8(10)19-23(20,21)11-18-9(5-22-11)12(14,15)16/h1-5,17,19H
InChIKeyGBUGMCOJPULOQD-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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide?
The IUPAC name of N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide (CID 171664660) is N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide?
The canonical SMILES for N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide is O=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1nc(C(F)(F)F)cs1.
What is the InChIKey of N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide?
The InChIKey is GBUGMCOJPULOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N3O2S2/c13-7-4-17-10-6(7)2-1-3-8(10)19-23(20,21)11-18-9(5-22-11)12(14,15)16/h1-5,17,19H.
What are the key properties of N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide?
N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-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 N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 171664660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).