methyl 3-(1H-indazol-7-ylsulfamoyl)thiophene-2-carboxylate

C13H11N3O4S2 — CID 43047412

IUPACmethyl 3-(1H-indazol-7-ylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1cccc2cn[nH]c12
InChIInChI=1S/C13H11N3O4S2/c1-20-13(17)12-10(5-6-21-12)22(18,19)16-9-4-2-3-8-7-14-15-11(8)9/h2-7,16H,1H3,(H,14,15)
InChIKeyHUDRYKZUQCMDAA-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.21
Rot. Bonds4

About methyl 3-(1H-indazol-7-ylsulfamoyl)thiophene-2-carboxylate

methyl 3-(1H-indazol-7-ylsulfamoyl)thiophene-2-carboxylate (PubChem CID 43047412) has the molecular formula C13H11N3O4S2 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl 3-(1H-indazol-7-ylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1H-indazol-7-ylsulfamoyl)thiophene-2-carboxylate
PubChem CID43047412
Molecular FormulaC13H11N3O4S2
Molecular Weight337.38 g/mol
Exact Mass337.02
IUPAC Namemethyl 3-(1H-indazol-7-ylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1cccc2cn[nH]c12
InChIInChI=1S/C13H11N3O4S2/c1-20-13(17)12-10(5-6-21-12)22(18,19)16-9-4-2-3-8-7-14-15-11(8)9/h2-7,16H,1H3,(H,14,15)
InChIKeyHUDRYKZUQCMDAA-UHFFFAOYSA-N
XLogP2.21
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate
CID 35857830
methyl 3-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylate
CID 61394313
methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate
CID 25041389
methyl 3-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)thiophene-2-carboxylate
CID 3780569
methyl 3-[(4-phenylpyrimidin-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 75449190
methyl 3-[(2-phenoxyphenyl)sulfamoyl]thiophene-2-carboxylate
CID 24563164
methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylate
CID 43547547
N-(1H-indazol-7-yl)benzenesulfonamide
CID 24653975
methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512
methyl 3-[(4-bromophenyl)sulfamoyl]thiophene-2-carboxylate
CID 16832158
N-(1H-indazol-7-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62999477
methyl 3-[(5-chloro-2-pyrazol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 60534296

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-indazol-7-ylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(1H-indazol-7-ylsulfamoyl)thiophene-2-carboxylate (CID 43047412) is methyl 3-(1H-indazol-7-ylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(1H-indazol-7-ylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(1H-indazol-7-ylsulfamoyl)thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Nc1cccc2cn[nH]c12.
What is the InChIKey of methyl 3-(1H-indazol-7-ylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is HUDRYKZUQCMDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4S2/c1-20-13(17)12-10(5-6-21-12)22(18,19)16-9-4-2-3-8-7-14-15-11(8)9/h2-7,16H,1H3,(H,14,15).
What are the key properties of methyl 3-(1H-indazol-7-ylsulfamoyl)thiophene-2-carboxylate?
methyl 3-(1H-indazol-7-ylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-indazol-7-ylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 43047412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).