N-[4-fluoro-2-(1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide

C16H12FN3O2S3 — CID 11978592

IUPACN-[4-fluoro-2-(1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
SMILESCN(c1ccc(F)c2cc(-c3nccs3)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H12FN3O2S3/c1-20(25(21,22)14-3-2-7-23-14)13-5-4-11(17)10-9-12(19-15(10)13)16-18-6-8-24-16/h2-9,19H,1H3
InChIKeyHPWBUGAJGPYWPZ-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.32
Rot. Bonds4

About N-[4-fluoro-2-(1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide

N-[4-fluoro-2-(1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide (PubChem CID 11978592) has the molecular formula C16H12FN3O2S3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[4-fluoro-2-(1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
PubChem CID11978592
Molecular FormulaC16H12FN3O2S3
Molecular Weight393.49 g/mol
Exact Mass393.01
IUPAC NameN-[4-fluoro-2-(1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
SMILESCN(c1ccc(F)c2cc(-c3nccs3)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H12FN3O2S3/c1-20(25(21,22)14-3-2-7-23-14)13-5-4-11(17)10-9-12(19-15(10)13)16-18-6-8-24-16/h2-9,19H,1H3
InChIKeyHPWBUGAJGPYWPZ-UHFFFAOYSA-N
XLogP4.32
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[4-fluoro-2-(1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide (CID 11978592) is N-[4-fluoro-2-(1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[4-fluoro-2-(1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[4-fluoro-2-(1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide is CN(c1ccc(F)c2cc(-c3nccs3)[nH]c12)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[4-fluoro-2-(1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
The InChIKey is HPWBUGAJGPYWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2S3/c1-20(25(21,22)14-3-2-7-23-14)13-5-4-11(17)10-9-12(19-15(10)13)16-18-6-8-24-16/h2-9,19H,1H3.
What are the key properties of N-[4-fluoro-2-(1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide?
N-[4-fluoro-2-(1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide has a molecular weight of 393.49 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 11978592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).