3-methyl-N-[3-(tetrazol-1-yl)phenyl]sulfonylthiophene-2-carboxamide

C13H11N5O3S2 — CID 78793725

IUPAC3-methyl-N-[3-(tetrazol-1-yl)phenyl]sulfonylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NS(=O)(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C13H11N5O3S2/c1-9-5-6-22-12(9)13(19)15-23(20,21)11-4-2-3-10(7-11)18-8-14-16-17-18/h2-8H,1H3,(H,15,19)
InChIKeyWRUNBZPLHXQALT-UHFFFAOYSA-N
MW349.40 g/mol
LogP1.15
Rot. Bonds4

About 3-methyl-N-[3-(tetrazol-1-yl)phenyl]sulfonylthiophene-2-carboxamide

3-methyl-N-[3-(tetrazol-1-yl)phenyl]sulfonylthiophene-2-carboxamide (PubChem CID 78793725) has the molecular formula C13H11N5O3S2 and a molecular weight of 349.40 g/mol. Its IUPAC name is 3-methyl-N-[3-(tetrazol-1-yl)phenyl]sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(tetrazol-1-yl)phenyl]sulfonylthiophene-2-carboxamide
PubChem CID78793725
Molecular FormulaC13H11N5O3S2
Molecular Weight349.40 g/mol
Exact Mass349.03
IUPAC Name3-methyl-N-[3-(tetrazol-1-yl)phenyl]sulfonylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NS(=O)(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C13H11N5O3S2/c1-9-5-6-22-12(9)13(19)15-23(20,21)11-4-2-3-10(7-11)18-8-14-16-17-18/h2-8H,1H3,(H,15,19)
InChIKeyWRUNBZPLHXQALT-UHFFFAOYSA-N
XLogP1.15
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 47784702
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methyl 3-(4-methylphenyl)-3-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]propanoate
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N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 9494536
4-(dimethylsulfamoyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 8753105
2-[methyl-[3-(tetrazol-1-yl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 51126990
3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
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[3-(tetrazol-1-yl)phenyl] 4-(methylcarbamoyl)benzenesulfonate
CID 24525725
4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide
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CID 26209349

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(tetrazol-1-yl)phenyl]sulfonylthiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-(tetrazol-1-yl)phenyl]sulfonylthiophene-2-carboxamide (CID 78793725) is 3-methyl-N-[3-(tetrazol-1-yl)phenyl]sulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(tetrazol-1-yl)phenyl]sulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(tetrazol-1-yl)phenyl]sulfonylthiophene-2-carboxamide is Cc1ccsc1C(=O)NS(=O)(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 3-methyl-N-[3-(tetrazol-1-yl)phenyl]sulfonylthiophene-2-carboxamide?
The InChIKey is WRUNBZPLHXQALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3S2/c1-9-5-6-22-12(9)13(19)15-23(20,21)11-4-2-3-10(7-11)18-8-14-16-17-18/h2-8H,1H3,(H,15,19).
What are the key properties of 3-methyl-N-[3-(tetrazol-1-yl)phenyl]sulfonylthiophene-2-carboxamide?
3-methyl-N-[3-(tetrazol-1-yl)phenyl]sulfonylthiophene-2-carboxamide has a molecular weight of 349.40 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(tetrazol-1-yl)phenyl]sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 78793725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).