N-(1-ethyl-3-methylpyrazol-4-yl)-4-propan-2-ylbenzenesulfonamide

C15H21N3O2S — CID 22209225

IUPACN-(1-ethyl-3-methylpyrazol-4-yl)-4-propan-2-ylbenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)c(C)n1
InChIInChI=1S/C15H21N3O2S/c1-5-18-10-15(12(4)16-18)17-21(19,20)14-8-6-13(7-9-14)11(2)3/h6-11,17H,5H2,1-4H3
InChIKeyDYDJRCBJLPAUHN-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.14
Rot. Bonds5

About N-(1-ethyl-3-methylpyrazol-4-yl)-4-propan-2-ylbenzenesulfonamide

N-(1-ethyl-3-methylpyrazol-4-yl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 22209225) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(1-ethyl-3-methylpyrazol-4-yl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-3-methylpyrazol-4-yl)-4-propan-2-ylbenzenesulfonamide
PubChem CID22209225
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(1-ethyl-3-methylpyrazol-4-yl)-4-propan-2-ylbenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)c(C)n1
InChIInChI=1S/C15H21N3O2S/c1-5-18-10-15(12(4)16-18)17-21(19,20)14-8-6-13(7-9-14)11(2)3/h6-11,17H,5H2,1-4H3
InChIKeyDYDJRCBJLPAUHN-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-(1-ethyl-3-methylpyrazol-4-yl)benzenesulfonamide
CID 22209222
1-ethyl-3-methyl-N-[1-(4-propan-2-ylphenyl)propyl]pyrazole-4-sulfonamide
CID 22772303
N-(1-ethyl-3-methylpyrazol-4-yl)-2,4-difluorobenzenesulfonamide
CID 22209237
N-(1-ethyl-3-methylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide
CID 22209239
N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-methylbenzenesulfonamide
CID 51391304
N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzenesulfonamide
CID 3535359
N-(2-methyltetrazol-5-yl)-4-propan-2-ylbenzenesulfonamide
CID 126829167
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19683756
N-(2-butylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 22774369
N-(2,5-dimethylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 7573896
N-(1-ethyl-3-methylpyrazol-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22209256
N-(2-butan-2-ylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22774427

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-methylpyrazol-4-yl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(1-ethyl-3-methylpyrazol-4-yl)-4-propan-2-ylbenzenesulfonamide (CID 22209225) is N-(1-ethyl-3-methylpyrazol-4-yl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(1-ethyl-3-methylpyrazol-4-yl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(1-ethyl-3-methylpyrazol-4-yl)-4-propan-2-ylbenzenesulfonamide is CCn1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)c(C)n1.
What is the InChIKey of N-(1-ethyl-3-methylpyrazol-4-yl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is DYDJRCBJLPAUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-5-18-10-15(12(4)16-18)17-21(19,20)14-8-6-13(7-9-14)11(2)3/h6-11,17H,5H2,1-4H3.
What are the key properties of N-(1-ethyl-3-methylpyrazol-4-yl)-4-propan-2-ylbenzenesulfonamide?
N-(1-ethyl-3-methylpyrazol-4-yl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-methylpyrazol-4-yl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 22209225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).