N-(3-methylbutyl)-4-pyrazol-1-ylbenzenesulfonamide

C14H19N3O2S — CID 90680510

IUPACN-(3-methylbutyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H19N3O2S/c1-12(2)8-10-16-20(18,19)14-6-4-13(5-7-14)17-11-3-9-15-17/h3-7,9,11-12,16H,8,10H2,1-2H3
InChIKeyWVERSHJKRNPDKN-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.20
Rot. Bonds6

About N-(3-methylbutyl)-4-pyrazol-1-ylbenzenesulfonamide

N-(3-methylbutyl)-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 90680510) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID90680510
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(3-methylbutyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H19N3O2S/c1-12(2)8-10-16-20(18,19)14-6-4-13(5-7-14)17-11-3-9-15-17/h3-7,9,11-12,16H,8,10H2,1-2H3
InChIKeyWVERSHJKRNPDKN-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-(3-methylbutyl)-4-pyrazol-1-ylbenzenesulfonamide (CID 90680510) is N-(3-methylbutyl)-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(3-methylbutyl)-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-(3-methylbutyl)-4-pyrazol-1-ylbenzenesulfonamide is CC(C)CCNS(=O)(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(3-methylbutyl)-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is WVERSHJKRNPDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-12(2)8-10-16-20(18,19)14-6-4-13(5-7-14)17-11-3-9-15-17/h3-7,9,11-12,16H,8,10H2,1-2H3.
What are the key properties of N-(3-methylbutyl)-4-pyrazol-1-ylbenzenesulfonamide?
N-(3-methylbutyl)-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 90680510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).