N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide

C8H13N3O4S — CID 47297037

IUPACN-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC1COCCO1)c1cn[nH]c1
InChIInChI=1S/C8H13N3O4S/c12-16(13,8-4-9-10-5-8)11-3-7-6-14-1-2-15-7/h4-5,7,11H,1-3,6H2,(H,9,10)
InChIKeyFHHIHOWZRBVVPF-UHFFFAOYSA-N
MW247.28 g/mol
LogP-0.90
Rot. Bonds4

About N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide

N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 47297037) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
PubChem CID47297037
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC1COCCO1)c1cn[nH]c1
InChIInChI=1S/C8H13N3O4S/c12-16(13,8-4-9-10-5-8)11-3-7-6-14-1-2-15-7/h4-5,7,11H,1-3,6H2,(H,9,10)
InChIKeyFHHIHOWZRBVVPF-UHFFFAOYSA-N
XLogP-0.90
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide (CID 47297037) is N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(NCC1COCCO1)c1cn[nH]c1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is FHHIHOWZRBVVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S/c12-16(13,8-4-9-10-5-8)11-3-7-6-14-1-2-15-7/h4-5,7,11H,1-3,6H2,(H,9,10).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 247.28 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47297037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).