4-chloro-N-(5-hydroxypentyl)-N,1-dimethylpyrazole-5-sulfonamide

C10H18ClN3O3S — CID 106150868

IUPAC4-chloro-N-(5-hydroxypentyl)-N,1-dimethylpyrazole-5-sulfonamide
SMILESCN(CCCCCO)S(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C10H18ClN3O3S/c1-13(6-4-3-5-7-15)18(16,17)10-9(11)8-12-14(10)2/h8,15H,3-7H2,1-2H3
InChIKeyMIKLLBFCBGHLMF-UHFFFAOYSA-N
MW295.79 g/mol
LogP0.86
Rot. Bonds7

About 4-chloro-N-(5-hydroxypentyl)-N,1-dimethylpyrazole-5-sulfonamide

4-chloro-N-(5-hydroxypentyl)-N,1-dimethylpyrazole-5-sulfonamide (PubChem CID 106150868) has the molecular formula C10H18ClN3O3S and a molecular weight of 295.79 g/mol. Its IUPAC name is 4-chloro-N-(5-hydroxypentyl)-N,1-dimethylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-hydroxypentyl)-N,1-dimethylpyrazole-5-sulfonamide
PubChem CID106150868
Molecular FormulaC10H18ClN3O3S
Molecular Weight295.79 g/mol
Exact Mass295.08
IUPAC Name4-chloro-N-(5-hydroxypentyl)-N,1-dimethylpyrazole-5-sulfonamide
SMILESCN(CCCCCO)S(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C10H18ClN3O3S/c1-13(6-4-3-5-7-15)18(16,17)10-9(11)8-12-14(10)2/h8,15H,3-7H2,1-2H3
InChIKeyMIKLLBFCBGHLMF-UHFFFAOYSA-N
XLogP0.86
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-hydroxypentyl)-N,1-dimethylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-(5-hydroxypentyl)-N,1-dimethylpyrazole-5-sulfonamide (CID 106150868) is 4-chloro-N-(5-hydroxypentyl)-N,1-dimethylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-(5-hydroxypentyl)-N,1-dimethylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-(5-hydroxypentyl)-N,1-dimethylpyrazole-5-sulfonamide is CN(CCCCCO)S(=O)(=O)c1c(Cl)cnn1C.
What is the InChIKey of 4-chloro-N-(5-hydroxypentyl)-N,1-dimethylpyrazole-5-sulfonamide?
The InChIKey is MIKLLBFCBGHLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O3S/c1-13(6-4-3-5-7-15)18(16,17)10-9(11)8-12-14(10)2/h8,15H,3-7H2,1-2H3.
What are the key properties of 4-chloro-N-(5-hydroxypentyl)-N,1-dimethylpyrazole-5-sulfonamide?
4-chloro-N-(5-hydroxypentyl)-N,1-dimethylpyrazole-5-sulfonamide has a molecular weight of 295.79 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-hydroxypentyl)-N,1-dimethylpyrazole-5-sulfonamide is sourced from PubChem (CID 106150868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).