N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3,4-dimethylbenzenesulfonamide

C16H23N3O2S — CID 6499786

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1cc(C)n(C(C)CNS(=O)(=O)c2ccc(C)c(C)c2)n1
InChIInChI=1S/C16H23N3O2S/c1-11-6-7-16(8-12(11)2)22(20,21)17-10-15(5)19-14(4)9-13(3)18-19/h6-9,15,17H,10H2,1-5H3
InChIKeyIZLLLSCLHPVXHF-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.66
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3,4-dimethylbenzenesulfonamide

N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 6499786) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3,4-dimethylbenzenesulfonamide
PubChem CID6499786
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1cc(C)n(C(C)CNS(=O)(=O)c2ccc(C)c(C)c2)n1
InChIInChI=1S/C16H23N3O2S/c1-11-6-7-16(8-12(11)2)22(20,21)17-10-15(5)19-14(4)9-13(3)18-19/h6-9,15,17H,10H2,1-5H3
InChIKeyIZLLLSCLHPVXHF-UHFFFAOYSA-N
XLogP2.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.66
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]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3,4-dimethylbenzenesulfonamide (CID 6499786) is N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3,4-dimethylbenzenesulfonamide is Cc1cc(C)n(C(C)CNS(=O)(=O)c2ccc(C)c(C)c2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is IZLLLSCLHPVXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-11-6-7-16(8-12(11)2)22(20,21)17-10-15(5)19-14(4)9-13(3)18-19/h6-9,15,17H,10H2,1-5H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3,4-dimethylbenzenesulfonamide?
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 321.45 g/mol, XLogP of 2.66, 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]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 6499786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).