N-[2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indol-7-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

C17H14F3N3O2S3 — CID 70966288

IUPACN-[2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indol-7-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(CC(F)(F)F)c1cccc2c1NC(c1nccs1)C2
InChIInChI=1S/C17H14F3N3O2S3/c18-17(19,20)10-23(28(24,25)14-5-2-7-26-14)13-4-1-3-11-9-12(22-15(11)13)16-21-6-8-27-16/h1-8,12,22H,9-10H2
InChIKeyCNYHVEKPMDDDFM-UHFFFAOYSA-N
MW445.51 g/mol
LogP4.67
Rot. Bonds5

About N-[2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indol-7-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

N-[2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indol-7-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 70966288) has the molecular formula C17H14F3N3O2S3 and a molecular weight of 445.51 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indol-7-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indol-7-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID70966288
Molecular FormulaC17H14F3N3O2S3
Molecular Weight445.51 g/mol
Exact Mass445.02
IUPAC NameN-[2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indol-7-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(CC(F)(F)F)c1cccc2c1NC(c1nccs1)C2
InChIInChI=1S/C17H14F3N3O2S3/c18-17(19,20)10-23(28(24,25)14-5-2-7-26-14)13-4-1-3-11-9-12(22-15(11)13)16-21-6-8-27-16/h1-8,12,22H,9-10H2
InChIKeyCNYHVEKPMDDDFM-UHFFFAOYSA-N
XLogP4.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.51
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indol-7-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indol-7-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 70966288) is N-[2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indol-7-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indol-7-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indol-7-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is O=S(=O)(c1cccs1)N(CC(F)(F)F)c1cccc2c1NC(c1nccs1)C2.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indol-7-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is CNYHVEKPMDDDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S3/c18-17(19,20)10-23(28(24,25)14-5-2-7-26-14)13-4-1-3-11-9-12(22-15(11)13)16-21-6-8-27-16/h1-8,12,22H,9-10H2.
What are the key properties of N-[2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indol-7-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
N-[2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indol-7-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 445.51 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indol-7-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 70966288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).