4-butan-2-yl-N-(1H-pyrazol-4-yl)benzenesulfonamide

C13H17N3O2S — CID 43532769

IUPAC4-butan-2-yl-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2cn[nH]c2)cc1
InChIInChI=1S/C13H17N3O2S/c1-3-10(2)11-4-6-13(7-5-11)19(17,18)16-12-8-14-15-9-12/h4-10,16H,3H2,1-2H3,(H,14,15)
InChIKeyKQROUUDGNUJGIJ-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.72
Rot. Bonds5

About 4-butan-2-yl-N-(1H-pyrazol-4-yl)benzenesulfonamide

4-butan-2-yl-N-(1H-pyrazol-4-yl)benzenesulfonamide (PubChem CID 43532769) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-butan-2-yl-N-(1H-pyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-(1H-pyrazol-4-yl)benzenesulfonamide
PubChem CID43532769
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name4-butan-2-yl-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2cn[nH]c2)cc1
InChIInChI=1S/C13H17N3O2S/c1-3-10(2)11-4-6-13(7-5-11)19(17,18)16-12-8-14-15-9-12/h4-10,16H,3H2,1-2H3,(H,14,15)
InChIKeyKQROUUDGNUJGIJ-UHFFFAOYSA-N
XLogP2.72
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854220
4-methylsulfonyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532785
4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
CID 17388091
3-[1-(methylamino)ethyl]-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540299
4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 2524649
4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 22773538
4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 22202165
6-(propylamino)-N-(1H-pyrazol-4-yl)pyridine-3-sulfonamide
CID 62147845
N-[4-[(2R)-butan-2-yl]phenyl]-4-nitrobenzenesulfonamide
CID 796582
4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide
CID 26012625
N-[4-(1-aminoethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54937351

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-(1H-pyrazol-4-yl)benzenesulfonamide (CID 43532769) is 4-butan-2-yl-N-(1H-pyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-(1H-pyrazol-4-yl)benzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)Nc2cn[nH]c2)cc1.
What is the InChIKey of 4-butan-2-yl-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The InChIKey is KQROUUDGNUJGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-3-10(2)11-4-6-13(7-5-11)19(17,18)16-12-8-14-15-9-12/h4-10,16H,3H2,1-2H3,(H,14,15).
What are the key properties of 4-butan-2-yl-N-(1H-pyrazol-4-yl)benzenesulfonamide?
4-butan-2-yl-N-(1H-pyrazol-4-yl)benzenesulfonamide has a molecular weight of 279.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-(1H-pyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 43532769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).