N-[(1,1-dioxothiolan-3-yl)methyl]-1H-pyrazole-5-sulfonamide

C8H13N3O4S2 — CID 102692339

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-1H-pyrazole-5-sulfonamide
SMILESO=S1(=O)CCC(CNS(=O)(=O)c2ccn[nH]2)C1
InChIInChI=1S/C8H13N3O4S2/c12-16(13)4-2-7(6-16)5-10-17(14,15)8-1-3-9-11-8/h1,3,7,10H,2,4-6H2,(H,9,11)
InChIKeyZZFSRYTVQDGJPX-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.88
Rot. Bonds4

About N-[(1,1-dioxothiolan-3-yl)methyl]-1H-pyrazole-5-sulfonamide

N-[(1,1-dioxothiolan-3-yl)methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102692339) has the molecular formula C8H13N3O4S2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-1H-pyrazole-5-sulfonamide
PubChem CID102692339
Molecular FormulaC8H13N3O4S2
Molecular Weight279.34 g/mol
Exact Mass279.03
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-1H-pyrazole-5-sulfonamide
SMILESO=S1(=O)CCC(CNS(=O)(=O)c2ccn[nH]2)C1
InChIInChI=1S/C8H13N3O4S2/c12-16(13)4-2-7(6-16)5-10-17(14,15)8-1-3-9-11-8/h1,3,7,10H,2,4-6H2,(H,9,11)
InChIKeyZZFSRYTVQDGJPX-UHFFFAOYSA-N
XLogP-0.88
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide
CID 102691651
N-[(3-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide
CID 107414868
N-[(3-hydroxycyclobutyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693146
N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 107297786
5-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 61057314
N-[(5-oxopyrrolidin-2-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693077
2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-sulfonamide
CID 61047462
N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692871
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 95144968
N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102691826
N-[(1,1-dioxothiolan-3-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 62133818
1,1-dioxo-3-[(sulfamoylamino)methyl]thiolane
CID 86706430

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-1H-pyrazole-5-sulfonamide (CID 102692339) is N-[(1,1-dioxothiolan-3-yl)methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-1H-pyrazole-5-sulfonamide is O=S1(=O)CCC(CNS(=O)(=O)c2ccn[nH]2)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is ZZFSRYTVQDGJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S2/c12-16(13)4-2-7(6-16)5-10-17(14,15)8-1-3-9-11-8/h1,3,7,10H,2,4-6H2,(H,9,11).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-1H-pyrazole-5-sulfonamide?
N-[(1,1-dioxothiolan-3-yl)methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 279.34 g/mol, XLogP of -0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).