N-hexyl-1H-pyrazole-4-sulfonamide

C9H17N3O2S — CID 47267547

IUPACN-hexyl-1H-pyrazole-4-sulfonamide
SMILESCCCCCCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H17N3O2S/c1-2-3-4-5-6-12-15(13,14)9-7-10-11-8-9/h7-8,12H,2-6H2,1H3,(H,10,11)
InChIKeyKSOHKSPXXSHOPJ-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.27
Rot. Bonds7

About N-hexyl-1H-pyrazole-4-sulfonamide

N-hexyl-1H-pyrazole-4-sulfonamide (PubChem CID 47267547) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-hexyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-hexyl-1H-pyrazole-4-sulfonamide
PubChem CID47267547
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-hexyl-1H-pyrazole-4-sulfonamide
SMILESCCCCCCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H17N3O2S/c1-2-3-4-5-6-12-15(13,14)9-7-10-11-8-9/h7-8,12H,2-6H2,1H3,(H,10,11)
InChIKeyKSOHKSPXXSHOPJ-UHFFFAOYSA-N
XLogP1.27
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.27
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,N-dimethyl-1H-pyrazole-4-sulfonamide
CID 54594730
1H-pyrazole-4-sulfonamide
CID 45080579
1H-pyrazole-4-sulfonohydrazide
CID 60917034
N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
CID 91046527
azanium 1H-pyrazole-4-sulfonate
CID 139196171
N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47268215
N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47268216
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 54876999
N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60916087
N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60917319
N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 61355701
N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-sulfonamide
CID 61384493

Frequently Asked Questions

What is the IUPAC name of N-hexyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-hexyl-1H-pyrazole-4-sulfonamide (CID 47267547) is N-hexyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-hexyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-hexyl-1H-pyrazole-4-sulfonamide is CCCCCCNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-hexyl-1H-pyrazole-4-sulfonamide?
The InChIKey is KSOHKSPXXSHOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-2-3-4-5-6-12-15(13,14)9-7-10-11-8-9/h7-8,12H,2-6H2,1H3,(H,10,11).
What are the key properties of N-hexyl-1H-pyrazole-4-sulfonamide?
N-hexyl-1H-pyrazole-4-sulfonamide has a molecular weight of 231.32 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47267547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).