N-(3-ethoxy-1-methylindazol-5-yl)thiophene-2-sulfonamide

C14H15N3O3S2 — CID 100830868

IUPACN-(3-ethoxy-1-methylindazol-5-yl)thiophene-2-sulfonamide
SMILESCCOc1nn(C)c2ccc(NS(=O)(=O)c3cccs3)cc12
InChIInChI=1S/C14H15N3O3S2/c1-3-20-14-11-9-10(6-7-12(11)17(2)15-14)16-22(18,19)13-5-4-8-21-13/h4-9,16H,3H2,1-2H3
InChIKeyAFTDYDHAOCDOFR-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.83
Rot. Bonds5

About N-(3-ethoxy-1-methylindazol-5-yl)thiophene-2-sulfonamide

N-(3-ethoxy-1-methylindazol-5-yl)thiophene-2-sulfonamide (PubChem CID 100830868) has the molecular formula C14H15N3O3S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is N-(3-ethoxy-1-methylindazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-ethoxy-1-methylindazol-5-yl)thiophene-2-sulfonamide
PubChem CID100830868
Molecular FormulaC14H15N3O3S2
Molecular Weight337.43 g/mol
Exact Mass337.06
IUPAC NameN-(3-ethoxy-1-methylindazol-5-yl)thiophene-2-sulfonamide
SMILESCCOc1nn(C)c2ccc(NS(=O)(=O)c3cccs3)cc12
InChIInChI=1S/C14H15N3O3S2/c1-3-20-14-11-9-10(6-7-12(11)17(2)15-14)16-22(18,19)13-5-4-8-21-13/h4-9,16H,3H2,1-2H3
InChIKeyAFTDYDHAOCDOFR-UHFFFAOYSA-N
XLogP2.83
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1-methylindazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-ethoxy-1-methylindazol-5-yl)thiophene-2-sulfonamide (CID 100830868) is N-(3-ethoxy-1-methylindazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-ethoxy-1-methylindazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-ethoxy-1-methylindazol-5-yl)thiophene-2-sulfonamide is CCOc1nn(C)c2ccc(NS(=O)(=O)c3cccs3)cc12.
What is the InChIKey of N-(3-ethoxy-1-methylindazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is AFTDYDHAOCDOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S2/c1-3-20-14-11-9-10(6-7-12(11)17(2)15-14)16-22(18,19)13-5-4-8-21-13/h4-9,16H,3H2,1-2H3.
What are the key properties of N-(3-ethoxy-1-methylindazol-5-yl)thiophene-2-sulfonamide?
N-(3-ethoxy-1-methylindazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 337.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1-methylindazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 100830868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).