5-(2-methylsulfanylpyrimidin-4-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide

C16H13N7O2S3 — CID 56940869

IUPAC5-(2-methylsulfanylpyrimidin-4-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide
SMILESCSc1nccc(-c2ccc(S(=O)(=O)Nc3cccc(-c4nn[nH]n4)c3)s2)n1
InChIInChI=1S/C16H13N7O2S3/c1-26-16-17-8-7-12(18-16)13-5-6-14(27-13)28(24,25)21-11-4-2-3-10(9-11)15-19-22-23-20-15/h2-9,21H,1H3,(H,19,20,22,23)
InChIKeyMBPGGGXCUKXRLU-UHFFFAOYSA-N
MW431.53 g/mol
LogP2.91
Rot. Bonds6

About 5-(2-methylsulfanylpyrimidin-4-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide

5-(2-methylsulfanylpyrimidin-4-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 56940869) has the molecular formula C16H13N7O2S3 and a molecular weight of 431.53 g/mol. Its IUPAC name is 5-(2-methylsulfanylpyrimidin-4-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-methylsulfanylpyrimidin-4-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide
PubChem CID56940869
Molecular FormulaC16H13N7O2S3
Molecular Weight431.53 g/mol
Exact Mass431.03
IUPAC Name5-(2-methylsulfanylpyrimidin-4-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide
SMILESCSc1nccc(-c2ccc(S(=O)(=O)Nc3cccc(-c4nn[nH]n4)c3)s2)n1
InChIInChI=1S/C16H13N7O2S3/c1-26-16-17-8-7-12(18-16)13-5-6-14(27-13)28(24,25)21-11-4-2-3-10(9-11)15-19-22-23-20-15/h2-9,21H,1H3,(H,19,20,22,23)
InChIKeyMBPGGGXCUKXRLU-UHFFFAOYSA-N
XLogP2.91
TPSA126.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfanylpyrimidin-4-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(2-methylsulfanylpyrimidin-4-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide (CID 56940869) is 5-(2-methylsulfanylpyrimidin-4-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-methylsulfanylpyrimidin-4-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-methylsulfanylpyrimidin-4-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide is CSc1nccc(-c2ccc(S(=O)(=O)Nc3cccc(-c4nn[nH]n4)c3)s2)n1.
What is the InChIKey of 5-(2-methylsulfanylpyrimidin-4-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is MBPGGGXCUKXRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O2S3/c1-26-16-17-8-7-12(18-16)13-5-6-14(27-13)28(24,25)21-11-4-2-3-10(9-11)15-19-22-23-20-15/h2-9,21H,1H3,(H,19,20,22,23).
What are the key properties of 5-(2-methylsulfanylpyrimidin-4-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide?
5-(2-methylsulfanylpyrimidin-4-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 431.53 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfanylpyrimidin-4-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 56940869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).