3-[5-(2-thiophen-2-ylethoxy)-1H-indazol-3-yl]benzenesulfonamide

C19H17N3O3S2 — CID 67454621

IUPAC3-[5-(2-thiophen-2-ylethoxy)-1H-indazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(OCCc4cccs4)cc23)c1
InChIInChI=1S/C19H17N3O3S2/c20-27(23,24)16-5-1-3-13(11-16)19-17-12-14(6-7-18(17)21-22-19)25-9-8-15-4-2-10-26-15/h1-7,10-12H,8-9H2,(H,21,22)(H2,20,23,24)
InChIKeySAPNYXBZSSOJNZ-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.56
Rot. Bonds6

About 3-[5-(2-thiophen-2-ylethoxy)-1H-indazol-3-yl]benzenesulfonamide

3-[5-(2-thiophen-2-ylethoxy)-1H-indazol-3-yl]benzenesulfonamide (PubChem CID 67454621) has the molecular formula C19H17N3O3S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is 3-[5-(2-thiophen-2-ylethoxy)-1H-indazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[5-(2-thiophen-2-ylethoxy)-1H-indazol-3-yl]benzenesulfonamide
PubChem CID67454621
Molecular FormulaC19H17N3O3S2
Molecular Weight399.50 g/mol
Exact Mass399.07
IUPAC Name3-[5-(2-thiophen-2-ylethoxy)-1H-indazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(OCCc4cccs4)cc23)c1
InChIInChI=1S/C19H17N3O3S2/c20-27(23,24)16-5-1-3-13(11-16)19-17-12-14(6-7-18(17)21-22-19)25-9-8-15-4-2-10-26-15/h1-7,10-12H,8-9H2,(H,21,22)(H2,20,23,24)
InChIKeySAPNYXBZSSOJNZ-UHFFFAOYSA-N
XLogP3.56
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-methoxy-1H-indazol-3-yl)benzenesulfonamide
CID 53476531
N-[2-[3-(3-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide
CID 56680215
3-(5-phenylmethoxy-1H-indazol-3-yl)benzenesulfonamide
CID 68230037
3-(5-ethoxy-1H-indazol-3-yl)benzenesulfonamide
CID 71682141
3-(6-cyano-5-ethoxy-1H-indazol-3-yl)benzenesulfonamide
CID 71682142
3-(5-ethoxy-6-phenyl-1H-indazol-3-yl)benzenesulfonamide
CID 71682298
3-(6-fluoro-1H-indazol-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 164609444
3-[5-ethoxy-6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
CID 71682299
3-(6-fluoro-1H-indazol-3-yl)-N-(4-propan-2-yloxyphenyl)benzenesulfonamide
CID 164625959
[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl] acetate
CID 174470208
[6-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl] acetate
CID 174483441
US11352330, Example D1
CID 126650967

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-thiophen-2-ylethoxy)-1H-indazol-3-yl]benzenesulfonamide?
The IUPAC name of 3-[5-(2-thiophen-2-ylethoxy)-1H-indazol-3-yl]benzenesulfonamide (CID 67454621) is 3-[5-(2-thiophen-2-ylethoxy)-1H-indazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-[5-(2-thiophen-2-ylethoxy)-1H-indazol-3-yl]benzenesulfonamide?
The canonical SMILES for 3-[5-(2-thiophen-2-ylethoxy)-1H-indazol-3-yl]benzenesulfonamide is NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(OCCc4cccs4)cc23)c1.
What is the InChIKey of 3-[5-(2-thiophen-2-ylethoxy)-1H-indazol-3-yl]benzenesulfonamide?
The InChIKey is SAPNYXBZSSOJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S2/c20-27(23,24)16-5-1-3-13(11-16)19-17-12-14(6-7-18(17)21-22-19)25-9-8-15-4-2-10-26-15/h1-7,10-12H,8-9H2,(H,21,22)(H2,20,23,24).
What are the key properties of 3-[5-(2-thiophen-2-ylethoxy)-1H-indazol-3-yl]benzenesulfonamide?
3-[5-(2-thiophen-2-ylethoxy)-1H-indazol-3-yl]benzenesulfonamide has a molecular weight of 399.50 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-thiophen-2-ylethoxy)-1H-indazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67454621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).