4-amino-N-cyclopropyl-N-pyrimidin-2-ylbenzenesulfonamide

C13H14N4O2S — CID 172601139

IUPAC4-amino-N-cyclopropyl-N-pyrimidin-2-ylbenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N(c2ncccn2)C2CC2)cc1
InChIInChI=1S/C13H14N4O2S/c14-10-2-6-12(7-3-10)20(18,19)17(11-4-5-11)13-15-8-1-9-16-13/h1-3,6-9,11H,4-5,14H2
InChIKeyJNTNZSKWSPRJSW-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.42
Rot. Bonds4

About 4-amino-N-cyclopropyl-N-pyrimidin-2-ylbenzenesulfonamide

4-amino-N-cyclopropyl-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 172601139) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID172601139
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name4-amino-N-cyclopropyl-N-pyrimidin-2-ylbenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N(c2ncccn2)C2CC2)cc1
InChIInChI=1S/C13H14N4O2S/c14-10-2-6-12(7-3-10)20(18,19)17(11-4-5-11)13-15-8-1-9-16-13/h1-3,6-9,11H,4-5,14H2
InChIKeyJNTNZSKWSPRJSW-UHFFFAOYSA-N
XLogP1.42
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-oxido-N-pyrimidin-2-ylbenzenesulfonamide
CID 163893950
4-amino-N-methyl-N-[4-(1,8-naphthyridin-2-ylmethylamino)cyclohexyl]benzenesulfonamide
CID 89231906
4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61110862
N-cyclopropyl-3-nitro-N-pyridin-2-ylbenzenesulfonamide
CID 110723195
4-amino-N-methyl-N-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]benzenesulfonamide
CID 89231815
N-(5-amino-2-pyridinyl)-N-cyclopropylmethanesulfonamide
CID 115268228
4-amino-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide
CID 129391721
4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741535
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
sodium (4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide
CID 15899898
N-pyrimidin-2-ylbenzenesulfonohydrazide
CID 67916952

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-pyrimidin-2-ylbenzenesulfonamide (CID 172601139) is 4-amino-N-cyclopropyl-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-pyrimidin-2-ylbenzenesulfonamide is Nc1ccc(S(=O)(=O)N(c2ncccn2)C2CC2)cc1.
What is the InChIKey of 4-amino-N-cyclopropyl-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is JNTNZSKWSPRJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c14-10-2-6-12(7-3-10)20(18,19)17(11-4-5-11)13-15-8-1-9-16-13/h1-3,6-9,11H,4-5,14H2.
What are the key properties of 4-amino-N-cyclopropyl-N-pyrimidin-2-ylbenzenesulfonamide?
4-amino-N-cyclopropyl-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 172601139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).