N-(1-benzyl-4-methoxyindazol-3-yl)-5-chlorothiophene-2-sulfonamide

C19H16ClN3O3S2 — CID 70689680

IUPACN-(1-benzyl-4-methoxyindazol-3-yl)-5-chlorothiophene-2-sulfonamide
SMILESCOc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1ccccc1
InChIInChI=1S/C19H16ClN3O3S2/c1-26-15-9-5-8-14-18(15)19(21-23(14)12-13-6-3-2-4-7-13)22-28(24,25)17-11-10-16(20)27-17/h2-11H,12H2,1H3,(H,21,22)
InChIKeyYVAZVUOWPQLLBX-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.61
Rot. Bonds6

About N-(1-benzyl-4-methoxyindazol-3-yl)-5-chlorothiophene-2-sulfonamide

N-(1-benzyl-4-methoxyindazol-3-yl)-5-chlorothiophene-2-sulfonamide (PubChem CID 70689680) has the molecular formula C19H16ClN3O3S2 and a molecular weight of 433.94 g/mol. Its IUPAC name is N-(1-benzyl-4-methoxyindazol-3-yl)-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-4-methoxyindazol-3-yl)-5-chlorothiophene-2-sulfonamide
PubChem CID70689680
Molecular FormulaC19H16ClN3O3S2
Molecular Weight433.94 g/mol
Exact Mass433.03
IUPAC NameN-(1-benzyl-4-methoxyindazol-3-yl)-5-chlorothiophene-2-sulfonamide
SMILESCOc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1ccccc1
InChIInChI=1S/C19H16ClN3O3S2/c1-26-15-9-5-8-14-18(15)19(21-23(14)12-13-6-3-2-4-7-13)22-28(24,25)17-11-10-16(20)27-17/h2-11H,12H2,1H3,(H,21,22)
InChIKeyYVAZVUOWPQLLBX-UHFFFAOYSA-N
XLogP4.61
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-methoxyindazol-3-yl)-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-(1-benzyl-4-methoxyindazol-3-yl)-5-chlorothiophene-2-sulfonamide (CID 70689680) is N-(1-benzyl-4-methoxyindazol-3-yl)-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-(1-benzyl-4-methoxyindazol-3-yl)-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-(1-benzyl-4-methoxyindazol-3-yl)-5-chlorothiophene-2-sulfonamide is COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-4-methoxyindazol-3-yl)-5-chlorothiophene-2-sulfonamide?
The InChIKey is YVAZVUOWPQLLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S2/c1-26-15-9-5-8-14-18(15)19(21-23(14)12-13-6-3-2-4-7-13)22-28(24,25)17-11-10-16(20)27-17/h2-11H,12H2,1H3,(H,21,22).
What are the key properties of N-(1-benzyl-4-methoxyindazol-3-yl)-5-chlorothiophene-2-sulfonamide?
N-(1-benzyl-4-methoxyindazol-3-yl)-5-chlorothiophene-2-sulfonamide has a molecular weight of 433.94 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-methoxyindazol-3-yl)-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 70689680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).