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

C15H21N3O2S — CID 6499785

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1cc(C)n(CCNS(=O)(=O)c2ccc(C)c(C)c2)n1
InChIInChI=1S/C15H21N3O2S/c1-11-5-6-15(9-12(11)2)21(19,20)16-7-8-18-14(4)10-13(3)17-18/h5-6,9-10,16H,7-8H2,1-4H3
InChIKeyDFQZUXOPWIGOIK-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.10
Rot. Bonds5

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

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 6499785) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide
PubChem CID6499785
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1cc(C)n(CCNS(=O)(=O)c2ccc(C)c(C)c2)n1
InChIInChI=1S/C15H21N3O2S/c1-11-5-6-15(9-12(11)2)21(19,20)16-7-8-18-14(4)10-13(3)17-18/h5-6,9-10,16H,7-8H2,1-4H3
InChIKeyDFQZUXOPWIGOIK-UHFFFAOYSA-N
XLogP2.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.10
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]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide (CID 6499785) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide is Cc1cc(C)n(CCNS(=O)(=O)c2ccc(C)c(C)c2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is DFQZUXOPWIGOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11-5-6-15(9-12(11)2)21(19,20)16-7-8-18-14(4)10-13(3)17-18/h5-6,9-10,16H,7-8H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.10, 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]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 6499785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).