2,5-dichloro-N-(1H-indazol-4-yl)thiophene-3-sulfonamide

C11H7Cl2N3O2S2 — CID 60579057

IUPAC2,5-dichloro-N-(1H-indazol-4-yl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1cccc2[nH]ncc12)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H7Cl2N3O2S2/c12-10-4-9(11(13)19-10)20(17,18)16-8-3-1-2-7-6(8)5-14-15-7/h1-5,16H,(H,14,15)
InChIKeyDHHNYCQOHSJZBN-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.73
Rot. Bonds3

About 2,5-dichloro-N-(1H-indazol-4-yl)thiophene-3-sulfonamide

2,5-dichloro-N-(1H-indazol-4-yl)thiophene-3-sulfonamide (PubChem CID 60579057) has the molecular formula C11H7Cl2N3O2S2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 2,5-dichloro-N-(1H-indazol-4-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1H-indazol-4-yl)thiophene-3-sulfonamide
PubChem CID60579057
Molecular FormulaC11H7Cl2N3O2S2
Molecular Weight348.24 g/mol
Exact Mass346.94
IUPAC Name2,5-dichloro-N-(1H-indazol-4-yl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1cccc2[nH]ncc12)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H7Cl2N3O2S2/c12-10-4-9(11(13)19-10)20(17,18)16-8-3-1-2-7-6(8)5-14-15-7/h1-5,16H,(H,14,15)
InChIKeyDHHNYCQOHSJZBN-UHFFFAOYSA-N
XLogP3.73
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1H-indazol-4-yl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(1H-indazol-4-yl)thiophene-3-sulfonamide (CID 60579057) is 2,5-dichloro-N-(1H-indazol-4-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(1H-indazol-4-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(1H-indazol-4-yl)thiophene-3-sulfonamide is O=S(=O)(Nc1cccc2[nH]ncc12)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(1H-indazol-4-yl)thiophene-3-sulfonamide?
The InChIKey is DHHNYCQOHSJZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O2S2/c12-10-4-9(11(13)19-10)20(17,18)16-8-3-1-2-7-6(8)5-14-15-7/h1-5,16H,(H,14,15).
What are the key properties of 2,5-dichloro-N-(1H-indazol-4-yl)thiophene-3-sulfonamide?
2,5-dichloro-N-(1H-indazol-4-yl)thiophene-3-sulfonamide has a molecular weight of 348.24 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1H-indazol-4-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 60579057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).