N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide

C17H14N4O4S3 — CID 67456033

IUPACN-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NS(=O)(=O)c4cccs4)cc23)c1
InChIInChI=1S/C17H14N4O4S3/c18-27(22,23)13-4-1-3-11(9-13)17-14-10-12(6-7-15(14)19-20-17)21-28(24,25)16-5-2-8-26-16/h1-10,21H,(H,19,20)(H2,18,22,23)
InChIKeyBACIJVCILOSSEY-UHFFFAOYSA-N
MW434.52 g/mol
LogP2.74
Rot. Bonds5

About N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide

N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide (PubChem CID 67456033) has the molecular formula C17H14N4O4S3 and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide
PubChem CID67456033
Molecular FormulaC17H14N4O4S3
Molecular Weight434.52 g/mol
Exact Mass434.02
IUPAC NameN-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NS(=O)(=O)c4cccs4)cc23)c1
InChIInChI=1S/C17H14N4O4S3/c18-27(22,23)13-4-1-3-11(9-13)17-14-10-12(6-7-15(14)19-20-17)21-28(24,25)16-5-2-8-26-16/h1-10,21H,(H,19,20)(H2,18,22,23)
InChIKeyBACIJVCILOSSEY-UHFFFAOYSA-N
XLogP2.74
TPSA135.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide (CID 67456033) is N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide is NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NS(=O)(=O)c4cccs4)cc23)c1.
What is the InChIKey of N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide?
The InChIKey is BACIJVCILOSSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4S3/c18-27(22,23)13-4-1-3-11(9-13)17-14-10-12(6-7-15(14)19-20-17)21-28(24,25)16-5-2-8-26-16/h1-10,21H,(H,19,20)(H2,18,22,23).
What are the key properties of N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide?
N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide has a molecular weight of 434.52 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 67456033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).