N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide

C14H19N3O2S — CID 6499782

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide
SMILESCc1cc(C)n(C(C)CNS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C14H19N3O2S/c1-11-9-12(2)17(16-11)13(3)10-15-20(18,19)14-7-5-4-6-8-14/h4-9,13,15H,10H2,1-3H3
InChIKeyHCYOBLOKOFDHJH-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.04
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide

N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide (PubChem CID 6499782) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide
PubChem CID6499782
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide
SMILESCc1cc(C)n(C(C)CNS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C14H19N3O2S/c1-11-9-12(2)17(16-11)13(3)10-15-20(18,19)14-7-5-4-6-8-14/h4-9,13,15H,10H2,1-3H3
InChIKeyHCYOBLOKOFDHJH-UHFFFAOYSA-N
XLogP2.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide (CID 6499782) is N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide is Cc1cc(C)n(C(C)CNS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide?
The InChIKey is HCYOBLOKOFDHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-11-9-12(2)17(16-11)13(3)10-15-20(18,19)14-7-5-4-6-8-14/h4-9,13,15H,10H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide?
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 6499782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).