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

C18H16FN3O4S3 — CID 67109309

IUPACN-[4-fluoro-1-(methoxymethoxy)-2-(1,3-thiazol-2-yl)indol-7-yl]-N-methylthiophene-2-sulfonamide
SMILESCOCOn1c(-c2nccs2)cc2c(F)ccc(N(C)S(=O)(=O)c3cccs3)c21
InChIInChI=1S/C18H16FN3O4S3/c1-21(29(23,24)16-4-3-8-27-16)14-6-5-13(19)12-10-15(18-20-7-9-28-18)22(17(12)14)26-11-25-2/h3-10H,11H2,1-2H3
InChIKeyQFQFBYWHJGDMGA-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.82
Rot. Bonds7

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

N-[4-fluoro-1-(methoxymethoxy)-2-(1,3-thiazol-2-yl)indol-7-yl]-N-methylthiophene-2-sulfonamide (PubChem CID 67109309) has the molecular formula C18H16FN3O4S3 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[4-fluoro-1-(methoxymethoxy)-2-(1,3-thiazol-2-yl)indol-7-yl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-fluoro-1-(methoxymethoxy)-2-(1,3-thiazol-2-yl)indol-7-yl]-N-methylthiophene-2-sulfonamide
PubChem CID67109309
Molecular FormulaC18H16FN3O4S3
Molecular Weight453.54 g/mol
Exact Mass453.03
IUPAC NameN-[4-fluoro-1-(methoxymethoxy)-2-(1,3-thiazol-2-yl)indol-7-yl]-N-methylthiophene-2-sulfonamide
SMILESCOCOn1c(-c2nccs2)cc2c(F)ccc(N(C)S(=O)(=O)c3cccs3)c21
InChIInChI=1S/C18H16FN3O4S3/c1-21(29(23,24)16-4-3-8-27-16)14-6-5-13(19)12-10-15(18-20-7-9-28-18)22(17(12)14)26-11-25-2/h3-10H,11H2,1-2H3
InChIKeyQFQFBYWHJGDMGA-UHFFFAOYSA-N
XLogP3.82
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-1-(methoxymethoxy)-2-(1,3-thiazol-2-yl)indol-7-yl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[4-fluoro-1-(methoxymethoxy)-2-(1,3-thiazol-2-yl)indol-7-yl]-N-methylthiophene-2-sulfonamide (CID 67109309) is N-[4-fluoro-1-(methoxymethoxy)-2-(1,3-thiazol-2-yl)indol-7-yl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[4-fluoro-1-(methoxymethoxy)-2-(1,3-thiazol-2-yl)indol-7-yl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[4-fluoro-1-(methoxymethoxy)-2-(1,3-thiazol-2-yl)indol-7-yl]-N-methylthiophene-2-sulfonamide is COCOn1c(-c2nccs2)cc2c(F)ccc(N(C)S(=O)(=O)c3cccs3)c21.
What is the InChIKey of N-[4-fluoro-1-(methoxymethoxy)-2-(1,3-thiazol-2-yl)indol-7-yl]-N-methylthiophene-2-sulfonamide?
The InChIKey is QFQFBYWHJGDMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4S3/c1-21(29(23,24)16-4-3-8-27-16)14-6-5-13(19)12-10-15(18-20-7-9-28-18)22(17(12)14)26-11-25-2/h3-10H,11H2,1-2H3.
What are the key properties of N-[4-fluoro-1-(methoxymethoxy)-2-(1,3-thiazol-2-yl)indol-7-yl]-N-methylthiophene-2-sulfonamide?
N-[4-fluoro-1-(methoxymethoxy)-2-(1,3-thiazol-2-yl)indol-7-yl]-N-methylthiophene-2-sulfonamide has a molecular weight of 453.54 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-1-(methoxymethoxy)-2-(1,3-thiazol-2-yl)indol-7-yl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 67109309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).