N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzenesulfonamide

C15H21N3O2S — CID 63000145

IUPACN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1c(C)nn(C(C)C)c1C
InChIInChI=1S/C15H21N3O2S/c1-10(2)18-13(5)15(12(4)16-18)17-21(19,20)14-9-7-6-8-11(14)3/h6-10,17H,1-5H3
InChIKeyJNTRCMWATBFMEP-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.19
Rot. Bonds4

About N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzenesulfonamide

N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzenesulfonamide (PubChem CID 63000145) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzenesulfonamide
PubChem CID63000145
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1c(C)nn(C(C)C)c1C
InChIInChI=1S/C15H21N3O2S/c1-10(2)18-13(5)15(12(4)16-18)17-21(19,20)14-9-7-6-8-11(14)3/h6-10,17H,1-5H3
InChIKeyJNTRCMWATBFMEP-UHFFFAOYSA-N
XLogP3.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide
CID 55900859
5-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 61125521
2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyridine-4-sulfonamide
CID 61042421
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 55902007
(2S)-2-hydroxy-N-(2-methylphenyl)sulfonylpropanamide
CID 763152
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 71890317
N-(3-chloropyrazin-2-yl)-2-methylbenzenesulfonamide
CID 102990036
2-methyl-N-pyrimidin-4-ylbenzenesulfonamide
CID 141412020
2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-methylbenzamide
CID 61101805
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 2862939
N-[2-(methanesulfonamido)phenyl]-2-methylbenzenesulfonamide
CID 113093452

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzenesulfonamide (CID 63000145) is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1c(C)nn(C(C)C)c1C.
What is the InChIKey of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzenesulfonamide?
The InChIKey is JNTRCMWATBFMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-10(2)18-13(5)15(12(4)16-18)17-21(19,20)14-9-7-6-8-11(14)3/h6-10,17H,1-5H3.
What are the key properties of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzenesulfonamide?
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 63000145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).