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

C18H14N4O3S2 — CID 53476533

IUPACN-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)c4cccs4)cc23)c1
InChIInChI=1S/C18H14N4O3S2/c19-27(24,25)13-4-1-3-11(9-13)17-14-10-12(6-7-15(14)21-22-17)20-18(23)16-5-2-8-26-16/h1-10H,(H,20,23)(H,21,22)(H2,19,24,25)
InChIKeyJCWMYHHWIAVKSB-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.19
Rot. Bonds4

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

N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-carboxamide (PubChem CID 53476533) has the molecular formula C18H14N4O3S2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-carboxamide
PubChem CID53476533
Molecular FormulaC18H14N4O3S2
Molecular Weight398.47 g/mol
Exact Mass398.05
IUPAC NameN-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)c4cccs4)cc23)c1
InChIInChI=1S/C18H14N4O3S2/c19-27(24,25)13-4-1-3-11(9-13)17-14-10-12(6-7-15(14)21-22-17)20-18(23)16-5-2-8-26-16/h1-10H,(H,20,23)(H,21,22)(H2,19,24,25)
InChIKeyJCWMYHHWIAVKSB-UHFFFAOYSA-N
XLogP3.19
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-carboxamide (CID 53476533) is N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-carboxamide is NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)c4cccs4)cc23)c1.
What is the InChIKey of N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-carboxamide?
The InChIKey is JCWMYHHWIAVKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S2/c19-27(24,25)13-4-1-3-11(9-13)17-14-10-12(6-7-15(14)21-22-17)20-18(23)16-5-2-8-26-16/h1-10H,(H,20,23)(H,21,22)(H2,19,24,25).
What are the key properties of N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-carboxamide?
N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 53476533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).