9-(1-methylpyrazol-4-yl)oxynonane-1-sulfonamide

C13H25N3O3S — CID 105343945

IUPAC9-(1-methylpyrazol-4-yl)oxynonane-1-sulfonamide
SMILESCn1cc(OCCCCCCCCCS(N)(=O)=O)cn1
InChIInChI=1S/C13H25N3O3S/c1-16-12-13(11-15-16)19-9-7-5-3-2-4-6-8-10-20(14,17)18/h11-12H,2-10H2,1H3,(H2,14,17,18)
InChIKeyCBOODKVJDZEGHS-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.82
Rot. Bonds11

About 9-(1-methylpyrazol-4-yl)oxynonane-1-sulfonamide

9-(1-methylpyrazol-4-yl)oxynonane-1-sulfonamide (PubChem CID 105343945) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 9-(1-methylpyrazol-4-yl)oxynonane-1-sulfonamide.

Molecular Properties

Compound Name9-(1-methylpyrazol-4-yl)oxynonane-1-sulfonamide
PubChem CID105343945
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name9-(1-methylpyrazol-4-yl)oxynonane-1-sulfonamide
SMILESCn1cc(OCCCCCCCCCS(N)(=O)=O)cn1
InChIInChI=1S/C13H25N3O3S/c1-16-12-13(11-15-16)19-9-7-5-3-2-4-6-8-10-20(14,17)18/h11-12H,2-10H2,1H3,(H2,14,17,18)
InChIKeyCBOODKVJDZEGHS-UHFFFAOYSA-N
XLogP1.82
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.82
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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Related Compounds

4-(1-methylpyrazol-4-yl)oxybutane-1-thiol
CID 116794342
1-methyl-4-(methylsulfonylmethoxy)pyrazole
CID 21465519
[4-[2-(1-methylpyrazol-4-yl)oxyethylsulfonyl]phenyl]methanamine
CID 116792499
3-methyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide
CID 116793914
3,3-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide
CID 116793917
[1-[(1-methylpyrazol-4-yl)oxymethyl]cyclopentyl]methanesulfonamide
CID 116793915
1-methyl-4-(2-phenoxyethoxy)pyrazole
CID 115753034
ethyl 3-(1-methylpyrazol-4-yl)oxypropanoate
CID 116792106
1-methyl-4-(2-propoxyethoxy)pyrazole
CID 106458442
9-(3-bromophenoxy)nonane-1-sulfonamide
CID 105343891
6-quinolin-3-yloxyhexane-1-sulfonamide
CID 107388061
5-(4-bromo-3-fluorophenoxy)pentane-1-sulfonamide
CID 65202502

Frequently Asked Questions

What is the IUPAC name of 9-(1-methylpyrazol-4-yl)oxynonane-1-sulfonamide?
The IUPAC name of 9-(1-methylpyrazol-4-yl)oxynonane-1-sulfonamide (CID 105343945) is 9-(1-methylpyrazol-4-yl)oxynonane-1-sulfonamide.
What is the SMILES notation for 9-(1-methylpyrazol-4-yl)oxynonane-1-sulfonamide?
The canonical SMILES for 9-(1-methylpyrazol-4-yl)oxynonane-1-sulfonamide is Cn1cc(OCCCCCCCCCS(N)(=O)=O)cn1.
What is the InChIKey of 9-(1-methylpyrazol-4-yl)oxynonane-1-sulfonamide?
The InChIKey is CBOODKVJDZEGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-16-12-13(11-15-16)19-9-7-5-3-2-4-6-8-10-20(14,17)18/h11-12H,2-10H2,1H3,(H2,14,17,18).
What are the key properties of 9-(1-methylpyrazol-4-yl)oxynonane-1-sulfonamide?
9-(1-methylpyrazol-4-yl)oxynonane-1-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 1.82, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-methylpyrazol-4-yl)oxynonane-1-sulfonamide is sourced from PubChem (CID 105343945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).