N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazole-4-sulfonamide

C15H21N3O2S — CID 61273867

IUPACN-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)(C)CC(NS(=O)(=O)c1cn[nH]c1)c1ccccc1
InChIInChI=1S/C15H21N3O2S/c1-15(2,3)9-14(12-7-5-4-6-8-12)18-21(19,20)13-10-16-17-11-13/h4-8,10-11,14,18H,9H2,1-3H3,(H,16,17)
InChIKeyDCDREVYFYGHZSJ-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.87
Rot. Bonds5

About N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazole-4-sulfonamide

N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazole-4-sulfonamide (PubChem CID 61273867) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazole-4-sulfonamide
PubChem CID61273867
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)(C)CC(NS(=O)(=O)c1cn[nH]c1)c1ccccc1
InChIInChI=1S/C15H21N3O2S/c1-15(2,3)9-14(12-7-5-4-6-8-12)18-21(19,20)13-10-16-17-11-13/h4-8,10-11,14,18H,9H2,1-3H3,(H,16,17)
InChIKeyDCDREVYFYGHZSJ-UHFFFAOYSA-N
XLogP2.87
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazol-4-amine
CID 43776931
3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine
CID 106209318
N-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide
CID 61248597
[3,3-dimethyl-1-(sulfamoylamino)butyl]benzene
CID 112684756
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide
CID 131899465
N-(2-bromo-4,4-dimethylpentyl)-1H-pyrazole-4-sulfonamide
CID 107158132
N-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 47363914
(2S)-3-phenyl-2-(1H-pyrazol-4-ylsulfonylamino)propanoic acid
CID 61136519
N-tert-butyl-1H-pyrazole-4-sulfonamide
CID 47267365
N-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 54934224
(2S)-3-methyl-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid
CID 61138000
ethyl (2R)-4,4-dimethyl-2-[(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]pentanoate
CID 102462808

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazole-4-sulfonamide (CID 61273867) is N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazole-4-sulfonamide is CC(C)(C)CC(NS(=O)(=O)c1cn[nH]c1)c1ccccc1.
What is the InChIKey of N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is DCDREVYFYGHZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-15(2,3)9-14(12-7-5-4-6-8-12)18-21(19,20)13-10-16-17-11-13/h4-8,10-11,14,18H,9H2,1-3H3,(H,16,17).
What are the key properties of N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazole-4-sulfonamide?
N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61273867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).