N-(4-pyrazol-1-ylphenyl)propane-2-sulfonamide

C12H15N3O2S — CID 62999857

IUPACN-(4-pyrazol-1-ylphenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C12H15N3O2S/c1-10(2)18(16,17)14-11-4-6-12(7-5-11)15-9-3-8-13-15/h3-10,14H,1-2H3
InChIKeyNQYUWLLAJQQHSM-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.02
Rot. Bonds4

About N-(4-pyrazol-1-ylphenyl)propane-2-sulfonamide

N-(4-pyrazol-1-ylphenyl)propane-2-sulfonamide (PubChem CID 62999857) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(4-pyrazol-1-ylphenyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(4-pyrazol-1-ylphenyl)propane-2-sulfonamide
PubChem CID62999857
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-(4-pyrazol-1-ylphenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C12H15N3O2S/c1-10(2)18(16,17)14-11-4-6-12(7-5-11)15-9-3-8-13-15/h3-10,14H,1-2H3
InChIKeyNQYUWLLAJQQHSM-UHFFFAOYSA-N
XLogP2.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyrazol-1-ylphenyl)propane-2-sulfonamide?
The IUPAC name of N-(4-pyrazol-1-ylphenyl)propane-2-sulfonamide (CID 62999857) is N-(4-pyrazol-1-ylphenyl)propane-2-sulfonamide.
What is the SMILES notation for N-(4-pyrazol-1-ylphenyl)propane-2-sulfonamide?
The canonical SMILES for N-(4-pyrazol-1-ylphenyl)propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(4-pyrazol-1-ylphenyl)propane-2-sulfonamide?
The InChIKey is NQYUWLLAJQQHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-10(2)18(16,17)14-11-4-6-12(7-5-11)15-9-3-8-13-15/h3-10,14H,1-2H3.
What are the key properties of N-(4-pyrazol-1-ylphenyl)propane-2-sulfonamide?
N-(4-pyrazol-1-ylphenyl)propane-2-sulfonamide has a molecular weight of 265.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrazol-1-ylphenyl)propane-2-sulfonamide is sourced from PubChem (CID 62999857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).