N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C11H21N3O2S — CID 43402443

IUPACN-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCCCCCNS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C11H21N3O2S/c1-4-5-6-7-8-12-17(15,16)11-9(2)13-14-10(11)3/h12H,4-8H2,1-3H3,(H,13,14)
InChIKeyFIYAFDXXJXJZKE-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.89
Rot. Bonds7

About N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 43402443) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID43402443
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC NameN-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCCCCCNS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C11H21N3O2S/c1-4-5-6-7-8-12-17(15,16)11-9(2)13-14-10(11)3/h12H,4-8H2,1-3H3,(H,13,14)
InChIKeyFIYAFDXXJXJZKE-UHFFFAOYSA-N
XLogP1.89
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242
N-(5-methoxypentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 103914904
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
N-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65033381
N-(4-azidobutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 106387054
3,5-dimethyl-N-[4-(pentylamino)phenyl]-1H-pyrazole-4-sulfonamide
CID 112985276
2,3,4,5,6-pentamethyl-N-nonylbenzenesulfonamide
CID 19681388
2,3,4,5,6-pentamethyl-N-octylbenzenesulfonamide
CID 19681352
N-[2-(cyclopropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62665350
N-[4-(2-methoxyphenyl)butyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110409207
3,5-dimethyl-N-(3-methylsulfanylbutyl)-1H-pyrazole-4-sulfonamide
CID 115901933
N-[3-(4-methoxyphenyl)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110288674

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 43402443) is N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide is CCCCCCNS(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is FIYAFDXXJXJZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-4-5-6-7-8-12-17(15,16)11-9(2)13-14-10(11)3/h12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 259.37 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 43402443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).