N,N-dibutyl-1H-pyrazole-4-sulfonamide

C11H21N3O2S — CID 47267375

IUPACN,N-dibutyl-1H-pyrazole-4-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H21N3O2S/c1-3-5-7-14(8-6-4-2)17(15,16)11-9-12-13-10-11/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyYDZYMTRBPAIRPR-UHFFFAOYSA-N
MW259.37 g/mol
LogP2.00
Rot. Bonds8

About N,N-dibutyl-1H-pyrazole-4-sulfonamide

N,N-dibutyl-1H-pyrazole-4-sulfonamide (PubChem CID 47267375) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is N,N-dibutyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-1H-pyrazole-4-sulfonamide
PubChem CID47267375
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC NameN,N-dibutyl-1H-pyrazole-4-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H21N3O2S/c1-3-5-7-14(8-6-4-2)17(15,16)11-9-12-13-10-11/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyYDZYMTRBPAIRPR-UHFFFAOYSA-N
XLogP2.00
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N,N-dibutyl-1H-pyrazole-4-sulfonamide (CID 47267375) is N,N-dibutyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N,N-dibutyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N,N-dibutyl-1H-pyrazole-4-sulfonamide is CCCCN(CCCC)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N,N-dibutyl-1H-pyrazole-4-sulfonamide?
The InChIKey is YDZYMTRBPAIRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-3-5-7-14(8-6-4-2)17(15,16)11-9-12-13-10-11/h9-10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N,N-dibutyl-1H-pyrazole-4-sulfonamide?
N,N-dibutyl-1H-pyrazole-4-sulfonamide has a molecular weight of 259.37 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47267375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).