2,4-dioxo-N-[4-(tetrazol-1-yl)phenyl]-1H-pyrimidine-5-sulfonamide

C11H9N7O4S — CID 21008096

IUPAC2,4-dioxo-N-[4-(tetrazol-1-yl)phenyl]-1H-pyrimidine-5-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)c(=O)[nH]1
InChIInChI=1S/C11H9N7O4S/c19-10-9(5-12-11(20)14-10)23(21,22)15-7-1-3-8(4-2-7)18-6-13-16-17-18/h1-6,15H,(H2,12,14,19,20)
InChIKeySMLMZHOIFXYFPY-UHFFFAOYSA-N
MW335.31 g/mol
LogP-1.16
Rot. Bonds4

About 2,4-dioxo-N-[4-(tetrazol-1-yl)phenyl]-1H-pyrimidine-5-sulfonamide

2,4-dioxo-N-[4-(tetrazol-1-yl)phenyl]-1H-pyrimidine-5-sulfonamide (PubChem CID 21008096) has the molecular formula C11H9N7O4S and a molecular weight of 335.31 g/mol. Its IUPAC name is 2,4-dioxo-N-[4-(tetrazol-1-yl)phenyl]-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2,4-dioxo-N-[4-(tetrazol-1-yl)phenyl]-1H-pyrimidine-5-sulfonamide
PubChem CID21008096
Molecular FormulaC11H9N7O4S
Molecular Weight335.31 g/mol
Exact Mass335.04
IUPAC Name2,4-dioxo-N-[4-(tetrazol-1-yl)phenyl]-1H-pyrimidine-5-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)c(=O)[nH]1
InChIInChI=1S/C11H9N7O4S/c19-10-9(5-12-11(20)14-10)23(21,22)15-7-1-3-8(4-2-7)18-6-13-16-17-18/h1-6,15H,(H2,12,14,19,20)
InChIKeySMLMZHOIFXYFPY-UHFFFAOYSA-N
XLogP-1.16
TPSA155.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-[4-(tetrazol-1-yl)phenyl]-1H-pyrimidine-5-sulfonamide?
The IUPAC name of 2,4-dioxo-N-[4-(tetrazol-1-yl)phenyl]-1H-pyrimidine-5-sulfonamide (CID 21008096) is 2,4-dioxo-N-[4-(tetrazol-1-yl)phenyl]-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for 2,4-dioxo-N-[4-(tetrazol-1-yl)phenyl]-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for 2,4-dioxo-N-[4-(tetrazol-1-yl)phenyl]-1H-pyrimidine-5-sulfonamide is O=c1[nH]cc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)c(=O)[nH]1.
What is the InChIKey of 2,4-dioxo-N-[4-(tetrazol-1-yl)phenyl]-1H-pyrimidine-5-sulfonamide?
The InChIKey is SMLMZHOIFXYFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N7O4S/c19-10-9(5-12-11(20)14-10)23(21,22)15-7-1-3-8(4-2-7)18-6-13-16-17-18/h1-6,15H,(H2,12,14,19,20).
What are the key properties of 2,4-dioxo-N-[4-(tetrazol-1-yl)phenyl]-1H-pyrimidine-5-sulfonamide?
2,4-dioxo-N-[4-(tetrazol-1-yl)phenyl]-1H-pyrimidine-5-sulfonamide has a molecular weight of 335.31 g/mol, XLogP of -1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-[4-(tetrazol-1-yl)phenyl]-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 21008096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).