3-[1-[(3-cyanophenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide

C20H16N4O3S2 — CID 66616727

IUPAC3-[1-[(3-cyanophenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide
SMILESCOc1cccc2c1c(-c1ccsc1S(N)(=O)=O)nn2Cc1cccc(C#N)c1
InChIInChI=1S/C20H16N4O3S2/c1-27-17-7-3-6-16-18(17)19(15-8-9-28-20(15)29(22,25)26)23-24(16)12-14-5-2-4-13(10-14)11-21/h2-10H,12H2,1H3,(H2,22,25,26)
InChIKeyNBEAPEKSGMRIRO-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.34
Rot. Bonds5

About 3-[1-[(3-cyanophenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide

3-[1-[(3-cyanophenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide (PubChem CID 66616727) has the molecular formula C20H16N4O3S2 and a molecular weight of 424.51 g/mol. Its IUPAC name is 3-[1-[(3-cyanophenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-[1-[(3-cyanophenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide
PubChem CID66616727
Molecular FormulaC20H16N4O3S2
Molecular Weight424.51 g/mol
Exact Mass424.07
IUPAC Name3-[1-[(3-cyanophenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide
SMILESCOc1cccc2c1c(-c1ccsc1S(N)(=O)=O)nn2Cc1cccc(C#N)c1
InChIInChI=1S/C20H16N4O3S2/c1-27-17-7-3-6-16-18(17)19(15-8-9-28-20(15)29(22,25)26)23-24(16)12-14-5-2-4-13(10-14)11-21/h2-10H,12H2,1H3,(H2,22,25,26)
InChIKeyNBEAPEKSGMRIRO-UHFFFAOYSA-N
XLogP3.34
TPSA111.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-cyanophenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 3-[1-[(3-cyanophenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide (CID 66616727) is 3-[1-[(3-cyanophenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-[1-[(3-cyanophenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 3-[1-[(3-cyanophenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide is COc1cccc2c1c(-c1ccsc1S(N)(=O)=O)nn2Cc1cccc(C#N)c1.
What is the InChIKey of 3-[1-[(3-cyanophenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is NBEAPEKSGMRIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S2/c1-27-17-7-3-6-16-18(17)19(15-8-9-28-20(15)29(22,25)26)23-24(16)12-14-5-2-4-13(10-14)11-21/h2-10H,12H2,1H3,(H2,22,25,26).
What are the key properties of 3-[1-[(3-cyanophenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide?
3-[1-[(3-cyanophenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 424.51 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-cyanophenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 66616727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).