methyl 3-[[4-(5-carbamoyltetrazol-2-yl)phenyl]sulfamoyl]thiophene-2-carboxylate

C14H12N6O5S2 — CID 71792239

IUPACmethyl 3-[[4-(5-carbamoyltetrazol-2-yl)phenyl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccc(-n2nnc(C(N)=O)n2)cc1
InChIInChI=1S/C14H12N6O5S2/c1-25-14(22)11-10(6-7-26-11)27(23,24)18-8-2-4-9(5-3-8)20-17-13(12(15)21)16-19-20/h2-7,18H,1H3,(H2,15,21)
InChIKeyWQBFWLMUKDRWBA-UHFFFAOYSA-N
MW408.42 g/mol
LogP0.41
Rot. Bonds6

About methyl 3-[[4-(5-carbamoyltetrazol-2-yl)phenyl]sulfamoyl]thiophene-2-carboxylate

methyl 3-[[4-(5-carbamoyltetrazol-2-yl)phenyl]sulfamoyl]thiophene-2-carboxylate (PubChem CID 71792239) has the molecular formula C14H12N6O5S2 and a molecular weight of 408.42 g/mol. Its IUPAC name is methyl 3-[[4-(5-carbamoyltetrazol-2-yl)phenyl]sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[4-(5-carbamoyltetrazol-2-yl)phenyl]sulfamoyl]thiophene-2-carboxylate
PubChem CID71792239
Molecular FormulaC14H12N6O5S2
Molecular Weight408.42 g/mol
Exact Mass408.03
IUPAC Namemethyl 3-[[4-(5-carbamoyltetrazol-2-yl)phenyl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccc(-n2nnc(C(N)=O)n2)cc1
InChIInChI=1S/C14H12N6O5S2/c1-25-14(22)11-10(6-7-26-11)27(23,24)18-8-2-4-9(5-3-8)20-17-13(12(15)21)16-19-20/h2-7,18H,1H3,(H2,15,21)
InChIKeyWQBFWLMUKDRWBA-UHFFFAOYSA-N
XLogP0.41
TPSA159.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

methyl 3-[(4-bromophenyl)sulfamoyl]thiophene-2-carboxylate
CID 16832158
2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]phenyl]tetrazole-5-carboxamide
CID 71792233
methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 5069019
methyl 3-[(4-ethoxyphenyl)sulfamoyl]thiophene-2-carboxylate
CID 16831992
methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate
CID 5163836
methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512
methyl 3-[(3-methyl-4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 3783614
methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate
CID 35857830
methyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 10615322
methyl 3-[(2-propan-2-yl-1,3-benzoxazol-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 39343906
methyl 3-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylate
CID 61394313
methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate
CID 78836894

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(5-carbamoyltetrazol-2-yl)phenyl]sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[4-(5-carbamoyltetrazol-2-yl)phenyl]sulfamoyl]thiophene-2-carboxylate (CID 71792239) is methyl 3-[[4-(5-carbamoyltetrazol-2-yl)phenyl]sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[4-(5-carbamoyltetrazol-2-yl)phenyl]sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[4-(5-carbamoyltetrazol-2-yl)phenyl]sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Nc1ccc(-n2nnc(C(N)=O)n2)cc1.
What is the InChIKey of methyl 3-[[4-(5-carbamoyltetrazol-2-yl)phenyl]sulfamoyl]thiophene-2-carboxylate?
The InChIKey is WQBFWLMUKDRWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O5S2/c1-25-14(22)11-10(6-7-26-11)27(23,24)18-8-2-4-9(5-3-8)20-17-13(12(15)21)16-19-20/h2-7,18H,1H3,(H2,15,21).
What are the key properties of methyl 3-[[4-(5-carbamoyltetrazol-2-yl)phenyl]sulfamoyl]thiophene-2-carboxylate?
methyl 3-[[4-(5-carbamoyltetrazol-2-yl)phenyl]sulfamoyl]thiophene-2-carboxylate has a molecular weight of 408.42 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(5-carbamoyltetrazol-2-yl)phenyl]sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 71792239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).