(NZ)-4-amino-N-(4-amino-6-oxo-5H-pyrimidin-2-ylidene)benzenesulfonamide

C10H11N5O3S — CID 154734778

IUPAC(NZ)-4-amino-N-(4-amino-6-oxo-5H-pyrimidin-2-ylidene)benzenesulfonamide
SMILESNC1=N/C(=N\S(=O)(=O)c2ccc(N)cc2)NC(=O)C1
InChIInChI=1S/C10H11N5O3S/c11-6-1-3-7(4-2-6)19(17,18)15-10-13-8(12)5-9(16)14-10/h1-4H,5,11H2,(H3,12,13,14,15,16)
InChIKeyTXQPSXOVOVQAQS-UHFFFAOYSA-N
MW281.30 g/mol
LogP-0.81
Rot. Bonds2

About (NZ)-4-amino-N-(4-amino-6-oxo-5H-pyrimidin-2-ylidene)benzenesulfonamide

(NZ)-4-amino-N-(4-amino-6-oxo-5H-pyrimidin-2-ylidene)benzenesulfonamide (PubChem CID 154734778) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is (NZ)-4-amino-N-(4-amino-6-oxo-5H-pyrimidin-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-4-amino-N-(4-amino-6-oxo-5H-pyrimidin-2-ylidene)benzenesulfonamide
PubChem CID154734778
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC Name(NZ)-4-amino-N-(4-amino-6-oxo-5H-pyrimidin-2-ylidene)benzenesulfonamide
SMILESNC1=N/C(=N\S(=O)(=O)c2ccc(N)cc2)NC(=O)C1
InChIInChI=1S/C10H11N5O3S/c11-6-1-3-7(4-2-6)19(17,18)15-10-13-8(12)5-9(16)14-10/h1-4H,5,11H2,(H3,12,13,14,15,16)
InChIKeyTXQPSXOVOVQAQS-UHFFFAOYSA-N
XLogP-0.81
TPSA140.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-4-amino-N-(4-amino-6-oxo-5H-pyrimidin-2-ylidene)benzenesulfonamide?
The IUPAC name of (NZ)-4-amino-N-(4-amino-6-oxo-5H-pyrimidin-2-ylidene)benzenesulfonamide (CID 154734778) is (NZ)-4-amino-N-(4-amino-6-oxo-5H-pyrimidin-2-ylidene)benzenesulfonamide.
What is the SMILES notation for (NZ)-4-amino-N-(4-amino-6-oxo-5H-pyrimidin-2-ylidene)benzenesulfonamide?
The canonical SMILES for (NZ)-4-amino-N-(4-amino-6-oxo-5H-pyrimidin-2-ylidene)benzenesulfonamide is NC1=N/C(=N\S(=O)(=O)c2ccc(N)cc2)NC(=O)C1.
What is the InChIKey of (NZ)-4-amino-N-(4-amino-6-oxo-5H-pyrimidin-2-ylidene)benzenesulfonamide?
The InChIKey is TXQPSXOVOVQAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c11-6-1-3-7(4-2-6)19(17,18)15-10-13-8(12)5-9(16)14-10/h1-4H,5,11H2,(H3,12,13,14,15,16).
What are the key properties of (NZ)-4-amino-N-(4-amino-6-oxo-5H-pyrimidin-2-ylidene)benzenesulfonamide?
(NZ)-4-amino-N-(4-amino-6-oxo-5H-pyrimidin-2-ylidene)benzenesulfonamide has a molecular weight of 281.30 g/mol, XLogP of -0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-4-amino-N-(4-amino-6-oxo-5H-pyrimidin-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 154734778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).