4-amino-N-(2-cyclopropyl-6-methylpyrimidin-4-yl)benzenesulfonamide

C14H16N4O2S — CID 154205604

IUPAC4-amino-N-(2-cyclopropyl-6-methylpyrimidin-4-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C2CC2)n1
InChIInChI=1S/C14H16N4O2S/c1-9-8-13(17-14(16-9)10-2-3-10)18-21(19,20)12-6-4-11(15)5-7-12/h4-8,10H,2-3,15H2,1H3,(H,16,17,18)
InChIKeyQMLDXHLREXNMES-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.05
Rot. Bonds4

About 4-amino-N-(2-cyclopropyl-6-methylpyrimidin-4-yl)benzenesulfonamide

4-amino-N-(2-cyclopropyl-6-methylpyrimidin-4-yl)benzenesulfonamide (PubChem CID 154205604) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 4-amino-N-(2-cyclopropyl-6-methylpyrimidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-cyclopropyl-6-methylpyrimidin-4-yl)benzenesulfonamide
PubChem CID154205604
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name4-amino-N-(2-cyclopropyl-6-methylpyrimidin-4-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C2CC2)n1
InChIInChI=1S/C14H16N4O2S/c1-9-8-13(17-14(16-9)10-2-3-10)18-21(19,20)12-6-4-11(15)5-7-12/h4-8,10H,2-3,15H2,1H3,(H,16,17,18)
InChIKeyQMLDXHLREXNMES-UHFFFAOYSA-N
XLogP2.05
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
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 4-amino-N-(2-cyclopropyl-6-methylpyrimidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(2-cyclopropyl-6-methylpyrimidin-4-yl)benzenesulfonamide (CID 154205604) is 4-amino-N-(2-cyclopropyl-6-methylpyrimidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-cyclopropyl-6-methylpyrimidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-cyclopropyl-6-methylpyrimidin-4-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C2CC2)n1.
What is the InChIKey of 4-amino-N-(2-cyclopropyl-6-methylpyrimidin-4-yl)benzenesulfonamide?
The InChIKey is QMLDXHLREXNMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-9-8-13(17-14(16-9)10-2-3-10)18-21(19,20)12-6-4-11(15)5-7-12/h4-8,10H,2-3,15H2,1H3,(H,16,17,18).
What are the key properties of 4-amino-N-(2-cyclopropyl-6-methylpyrimidin-4-yl)benzenesulfonamide?
4-amino-N-(2-cyclopropyl-6-methylpyrimidin-4-yl)benzenesulfonamide has a molecular weight of 304.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyclopropyl-6-methylpyrimidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 154205604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).