(NZ)-4-amino-N-(1,4,6-trimethylpyrimidin-2-ylidene)benzenesulfonamide

C13H16N4O2S — CID 15607280

IUPAC(NZ)-4-amino-N-(1,4,6-trimethylpyrimidin-2-ylidene)benzenesulfonamide
SMILESCc1cc(C)n(C)/c(=N/S(=O)(=O)c2ccc(N)cc2)n1
InChIInChI=1S/C13H16N4O2S/c1-9-8-10(2)17(3)13(15-9)16-20(18,19)12-6-4-11(14)5-7-12/h4-8H,14H2,1-3H3/b16-13+
InChIKeyLFULTXIHDOVLRK-DTQAZKPQSA-N
MW292.36 g/mol
LogP0.91
Rot. Bonds2

About (NZ)-4-amino-N-(1,4,6-trimethylpyrimidin-2-ylidene)benzenesulfonamide

(NZ)-4-amino-N-(1,4,6-trimethylpyrimidin-2-ylidene)benzenesulfonamide (PubChem CID 15607280) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is (NZ)-4-amino-N-(1,4,6-trimethylpyrimidin-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-4-amino-N-(1,4,6-trimethylpyrimidin-2-ylidene)benzenesulfonamide
PubChem CID15607280
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name(NZ)-4-amino-N-(1,4,6-trimethylpyrimidin-2-ylidene)benzenesulfonamide
SMILESCc1cc(C)n(C)/c(=N/S(=O)(=O)c2ccc(N)cc2)n1
InChIInChI=1S/C13H16N4O2S/c1-9-8-10(2)17(3)13(15-9)16-20(18,19)12-6-4-11(14)5-7-12/h4-8H,14H2,1-3H3/b16-13+
InChIKeyLFULTXIHDOVLRK-DTQAZKPQSA-N
XLogP0.91
TPSA90.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (NZ)-4-amino-N-(1,4,6-trimethylpyrimidin-2-ylidene)benzenesulfonamide?
The IUPAC name of (NZ)-4-amino-N-(1,4,6-trimethylpyrimidin-2-ylidene)benzenesulfonamide (CID 15607280) is (NZ)-4-amino-N-(1,4,6-trimethylpyrimidin-2-ylidene)benzenesulfonamide.
What is the SMILES notation for (NZ)-4-amino-N-(1,4,6-trimethylpyrimidin-2-ylidene)benzenesulfonamide?
The canonical SMILES for (NZ)-4-amino-N-(1,4,6-trimethylpyrimidin-2-ylidene)benzenesulfonamide is Cc1cc(C)n(C)/c(=N/S(=O)(=O)c2ccc(N)cc2)n1.
What is the InChIKey of (NZ)-4-amino-N-(1,4,6-trimethylpyrimidin-2-ylidene)benzenesulfonamide?
The InChIKey is LFULTXIHDOVLRK-DTQAZKPQSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-9-8-10(2)17(3)13(15-9)16-20(18,19)12-6-4-11(14)5-7-12/h4-8H,14H2,1-3H3/b16-13+.
What are the key properties of (NZ)-4-amino-N-(1,4,6-trimethylpyrimidin-2-ylidene)benzenesulfonamide?
(NZ)-4-amino-N-(1,4,6-trimethylpyrimidin-2-ylidene)benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-4-amino-N-(1,4,6-trimethylpyrimidin-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 15607280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).