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

C13H17N3O2S — CID 6499781

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C)n(CCNS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C13H17N3O2S/c1-11-10-12(2)16(15-11)9-8-14-19(17,18)13-6-4-3-5-7-13/h3-7,10,14H,8-9H2,1-2H3
InChIKeyNZHMAKMMLCKKSM-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.48
Rot. Bonds5

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

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 6499781) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide
PubChem CID6499781
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C)n(CCNS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C13H17N3O2S/c1-11-10-12(2)16(15-11)9-8-14-19(17,18)13-6-4-3-5-7-13/h3-7,10,14H,8-9H2,1-2H3
InChIKeyNZHMAKMMLCKKSM-UHFFFAOYSA-N
XLogP1.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.48
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)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide (CID 6499781) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide is Cc1cc(C)n(CCNS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is NZHMAKMMLCKKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-11-10-12(2)16(15-11)9-8-14-19(17,18)13-6-4-3-5-7-13/h3-7,10,14H,8-9H2,1-2H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 279.37 g/mol, XLogP of 1.48, 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)ethyl]benzenesulfonamide is sourced from PubChem (CID 6499781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).