N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,5,6-tetramethylbenzenesulfonamide

C15H21N3O2S — CID 115750918

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2n[nH]c(C)c2C)c1C
InChIInChI=1S/C15H21N3O2S/c1-8-7-9(2)11(4)14(10(8)3)21(19,20)18-15-12(5)13(6)16-17-15/h7H,1-6H3,(H2,16,17,18)
InChIKeyHZOPENNZQSTXCN-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.06
Rot. Bonds3

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,5,6-tetramethylbenzenesulfonamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 115750918) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID115750918
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2n[nH]c(C)c2C)c1C
InChIInChI=1S/C15H21N3O2S/c1-8-7-9(2)11(4)14(10(8)3)21(19,20)18-15-12(5)13(6)16-17-15/h7H,1-6H3,(H2,16,17,18)
InChIKeyHZOPENNZQSTXCN-UHFFFAOYSA-N
XLogP3.06
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4,6-trimethylbenzenesulfonamide
CID 115750900
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 43547448
2,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylbenzenesulfonamide
CID 115750897
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-dimethylbenzenesulfonamide
CID 104617090
N-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 115750894
2,5-dibromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 112699522
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide
CID 115750920
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 83098109
3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
CID 115698055
2,3,5,6-tetramethyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683576
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide
CID 104617067
2-chloro-5-[(4,5-dimethyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 104617545

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,5,6-tetramethylbenzenesulfonamide (CID 115750918) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)Nc2n[nH]c(C)c2C)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is HZOPENNZQSTXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-8-7-9(2)11(4)14(10(8)3)21(19,20)18-15-12(5)13(6)16-17-15/h7H,1-6H3,(H2,16,17,18).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,5,6-tetramethylbenzenesulfonamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 115750918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).