N-(2-fluoroethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide

C19H20FN3O3S3 — CID 59135751

IUPACN-(2-fluoroethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(CCF)c1cccc2cc(C3=NCC(CCO)S3)[nH]c12
InChIInChI=1S/C19H20FN3O3S3/c20-7-8-23(29(25,26)17-5-2-10-27-17)16-4-1-3-13-11-15(22-18(13)16)19-21-12-14(28-19)6-9-24/h1-5,10-11,14,22,24H,6-9,12H2
InChIKeyJGWKPUVRFFTULF-UHFFFAOYSA-N
MW453.59 g/mol
LogP3.64
Rot. Bonds8

About N-(2-fluoroethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide

N-(2-fluoroethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (PubChem CID 59135751) has the molecular formula C19H20FN3O3S3 and a molecular weight of 453.59 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
PubChem CID59135751
Molecular FormulaC19H20FN3O3S3
Molecular Weight453.59 g/mol
Exact Mass453.07
IUPAC NameN-(2-fluoroethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(CCF)c1cccc2cc(C3=NCC(CCO)S3)[nH]c12
InChIInChI=1S/C19H20FN3O3S3/c20-7-8-23(29(25,26)17-5-2-10-27-17)16-4-1-3-13-11-15(22-18(13)16)19-21-12-14(28-19)6-9-24/h1-5,10-11,14,22,24H,6-9,12H2
InChIKeyJGWKPUVRFFTULF-UHFFFAOYSA-N
XLogP3.64
TPSA85.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(2-fluoroethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (CID 59135751) is N-(2-fluoroethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-fluoroethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(2-fluoroethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is O=S(=O)(c1cccs1)N(CCF)c1cccc2cc(C3=NCC(CCO)S3)[nH]c12.
What is the InChIKey of N-(2-fluoroethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The InChIKey is JGWKPUVRFFTULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S3/c20-7-8-23(29(25,26)17-5-2-10-27-17)16-4-1-3-13-11-15(22-18(13)16)19-21-12-14(28-19)6-9-24/h1-5,10-11,14,22,24H,6-9,12H2.
What are the key properties of N-(2-fluoroethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
N-(2-fluoroethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide has a molecular weight of 453.59 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N-[2-[5-(2-hydroxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 59135751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).