N-[(1-ethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide

C15H21N3O2S — CID 22204134

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2cc(C)ccc2C)cn1
InChIInChI=1S/C15H21N3O2S/c1-5-18-11-14(9-16-18)10-17(4)21(19,20)15-8-12(2)6-7-13(15)3/h6-9,11H,5,10H2,1-4H3
InChIKeyRYCHBERSSGZECN-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.34
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide

N-[(1-ethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide (PubChem CID 22204134) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide
PubChem CID22204134
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2cc(C)ccc2C)cn1
InChIInChI=1S/C15H21N3O2S/c1-5-18-11-14(9-16-18)10-17(4)21(19,20)15-8-12(2)6-7-13(15)3/h6-9,11H,5,10H2,1-4H3
InChIKeyRYCHBERSSGZECN-UHFFFAOYSA-N
XLogP2.34
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide (CID 22204134) is N-[(1-ethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide is CCn1cc(CN(C)S(=O)(=O)c2cc(C)ccc2C)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide?
The InChIKey is RYCHBERSSGZECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-5-18-11-14(9-16-18)10-17(4)21(19,20)15-8-12(2)6-7-13(15)3/h6-9,11H,5,10H2,1-4H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide?
N-[(1-ethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 22204134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).