N-[4-(3-methylpyrazol-1-yl)phenyl]butane-1-sulfonamide

C14H19N3O2S — CID 35521147

IUPACN-[4-(3-methylpyrazol-1-yl)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(-n2ccc(C)n2)cc1
InChIInChI=1S/C14H19N3O2S/c1-3-4-11-20(18,19)16-13-5-7-14(8-6-13)17-10-9-12(2)15-17/h5-10,16H,3-4,11H2,1-2H3
InChIKeyGGJCUNPMYYARIL-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.72
Rot. Bonds6

About N-[4-(3-methylpyrazol-1-yl)phenyl]butane-1-sulfonamide

N-[4-(3-methylpyrazol-1-yl)phenyl]butane-1-sulfonamide (PubChem CID 35521147) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[4-(3-methylpyrazol-1-yl)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-methylpyrazol-1-yl)phenyl]butane-1-sulfonamide
PubChem CID35521147
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[4-(3-methylpyrazol-1-yl)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(-n2ccc(C)n2)cc1
InChIInChI=1S/C14H19N3O2S/c1-3-4-11-20(18,19)16-13-5-7-14(8-6-13)17-10-9-12(2)15-17/h5-10,16H,3-4,11H2,1-2H3
InChIKeyGGJCUNPMYYARIL-UHFFFAOYSA-N
XLogP2.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-methylpyrazol-1-yl)phenyl]-1-phenylmethanesulfonamide
CID 35521142
4-fluoro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide
CID 35521119
4-(butylsulfonylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 19683751
3-methyl-1-(4-methylsulfonylphenyl)pyrazole
CID 90328454
N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]butane-1-sulfonamide
CID 51352682
N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide
CID 15040315
N-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide
CID 154755711
N-[4-(3-oxomorpholin-4-yl)phenyl]butane-1-sulfonamide
CID 110363609
N-(6-imidazol-1-yl-3-pyridinyl)butane-1-sulfonamide
CID 90608258
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butane-1-sulfonamide
CID 108780480
N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide
CID 64794580
N-(6-chloro-3-pyridinyl)butane-1-sulfonamide
CID 107095360

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpyrazol-1-yl)phenyl]butane-1-sulfonamide?
The IUPAC name of N-[4-(3-methylpyrazol-1-yl)phenyl]butane-1-sulfonamide (CID 35521147) is N-[4-(3-methylpyrazol-1-yl)phenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[4-(3-methylpyrazol-1-yl)phenyl]butane-1-sulfonamide?
The canonical SMILES for N-[4-(3-methylpyrazol-1-yl)phenyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(-n2ccc(C)n2)cc1.
What is the InChIKey of N-[4-(3-methylpyrazol-1-yl)phenyl]butane-1-sulfonamide?
The InChIKey is GGJCUNPMYYARIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-4-11-20(18,19)16-13-5-7-14(8-6-13)17-10-9-12(2)15-17/h5-10,16H,3-4,11H2,1-2H3.
What are the key properties of N-[4-(3-methylpyrazol-1-yl)phenyl]butane-1-sulfonamide?
N-[4-(3-methylpyrazol-1-yl)phenyl]butane-1-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpyrazol-1-yl)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 35521147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).