5-methyl-N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-4-sulfonamide

C15H21N3O2S — CID 115621438

IUPAC5-methyl-N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC(C)(C)CCc1ccccc1
InChIInChI=1S/C15H21N3O2S/c1-12-14(11-16-17-12)21(19,20)18-15(2,3)10-9-13-7-5-4-6-8-13/h4-8,11,18H,9-10H2,1-3H3,(H,16,17)
InChIKeyXJBIDEBASLKLEQ-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.41
Rot. Bonds6

About 5-methyl-N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-4-sulfonamide

5-methyl-N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 115621438) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID115621438
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name5-methyl-N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC(C)(C)CCc1ccccc1
InChIInChI=1S/C15H21N3O2S/c1-12-14(11-16-17-12)21(19,20)18-15(2,3)10-9-13-7-5-4-6-8-13/h4-8,11,18H,9-10H2,1-3H3,(H,16,17)
InChIKeyXJBIDEBASLKLEQ-UHFFFAOYSA-N
XLogP2.41
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693365
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 103931269
3-[[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]methyl]benzoic acid
CID 60911333
N-[2-(dimethylamino)-2-phenylethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61248522
N-[1-bromo-2-(bromomethyl)butan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 107868336
N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 54903976
2-hydroxy-N-(2-methyl-4-phenylbutan-2-yl)ethanesulfonamide
CID 113472600
5-methyl-N-(4-pentylphenyl)-1H-pyrazole-4-sulfonamide
CID 61249293
N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115650780
5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 79555430
N-[2-(2-methoxyethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 102846902
N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61273424

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-4-sulfonamide (CID 115621438) is 5-methyl-N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NC(C)(C)CCc1ccccc1.
What is the InChIKey of 5-methyl-N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is XJBIDEBASLKLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-12-14(11-16-17-12)21(19,20)18-15(2,3)10-9-13-7-5-4-6-8-13/h4-8,11,18H,9-10H2,1-3H3,(H,16,17).
What are the key properties of 5-methyl-N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 115621438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).