2-(4-amino-3,5-diethylpyrazol-1-yl)-N-methylbenzenesulfonamide

C14H20N4O2S — CID 82692794

IUPAC2-(4-amino-3,5-diethylpyrazol-1-yl)-N-methylbenzenesulfonamide
SMILESCCc1nn(-c2ccccc2S(=O)(=O)NC)c(CC)c1N
InChIInChI=1S/C14H20N4O2S/c1-4-10-14(15)11(5-2)18(17-10)12-8-6-7-9-13(12)21(19,20)16-3/h6-9,16H,4-5,15H2,1-3H3
InChIKeyRVQRRFFRXIUAGT-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.49
Rot. Bonds5

About 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-methylbenzenesulfonamide

2-(4-amino-3,5-diethylpyrazol-1-yl)-N-methylbenzenesulfonamide (PubChem CID 82692794) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(4-amino-3,5-diethylpyrazol-1-yl)-N-methylbenzenesulfonamide
PubChem CID82692794
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2-(4-amino-3,5-diethylpyrazol-1-yl)-N-methylbenzenesulfonamide
SMILESCCc1nn(-c2ccccc2S(=O)(=O)NC)c(CC)c1N
InChIInChI=1S/C14H20N4O2S/c1-4-10-14(15)11(5-2)18(17-10)12-8-6-7-9-13(12)21(19,20)16-3/h6-9,16H,4-5,15H2,1-3H3
InChIKeyRVQRRFFRXIUAGT-UHFFFAOYSA-N
XLogP1.49
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-methylbenzenesulfonamide (CID 82692794) is 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-methylbenzenesulfonamide is CCc1nn(-c2ccccc2S(=O)(=O)NC)c(CC)c1N.
What is the InChIKey of 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-methylbenzenesulfonamide?
The InChIKey is RVQRRFFRXIUAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-4-10-14(15)11(5-2)18(17-10)12-8-6-7-9-13(12)21(19,20)16-3/h6-9,16H,4-5,15H2,1-3H3.
What are the key properties of 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-methylbenzenesulfonamide?
2-(4-amino-3,5-diethylpyrazol-1-yl)-N-methylbenzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 82692794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).