N-(3-methoxypropyl)-1H-pyrazole-4-sulfonamide

C7H13N3O3S — CID 47267370

IUPACN-(3-methoxypropyl)-1H-pyrazole-4-sulfonamide
SMILESCOCCCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C7H13N3O3S/c1-13-4-2-3-10-14(11,12)7-5-8-9-6-7/h5-6,10H,2-4H2,1H3,(H,8,9)
InChIKeyKEHDESFWIIIWQZ-UHFFFAOYSA-N
MW219.27 g/mol
LogP-0.28
Rot. Bonds6

About N-(3-methoxypropyl)-1H-pyrazole-4-sulfonamide

N-(3-methoxypropyl)-1H-pyrazole-4-sulfonamide (PubChem CID 47267370) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1H-pyrazole-4-sulfonamide
PubChem CID47267370
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC NameN-(3-methoxypropyl)-1H-pyrazole-4-sulfonamide
SMILESCOCCCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C7H13N3O3S/c1-13-4-2-3-10-14(11,12)7-5-8-9-6-7/h5-6,10H,2-4H2,1H3,(H,8,9)
InChIKeyKEHDESFWIIIWQZ-UHFFFAOYSA-N
XLogP-0.28
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-(3-methoxypropyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-methoxypropyl)-1H-pyrazole-4-sulfonamide (CID 47267370) is N-(3-methoxypropyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-1H-pyrazole-4-sulfonamide is COCCCNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(3-methoxypropyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is KEHDESFWIIIWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S/c1-13-4-2-3-10-14(11,12)7-5-8-9-6-7/h5-6,10H,2-4H2,1H3,(H,8,9).
What are the key properties of N-(3-methoxypropyl)-1H-pyrazole-4-sulfonamide?
N-(3-methoxypropyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 219.27 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47267370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).