3-amino-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide

C8H16N4O4S2 — CID 79850425

IUPAC3-amino-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C8H16N4O4S2/c1-11-6-7(8(9)10-11)18(15,16)12(2)4-5-17(3,13)14/h6H,4-5H2,1-3H3,(H2,9,10)
InChIKeyRQNTXRHNMZKTCM-UHFFFAOYSA-N
MW296.37 g/mol
LogP-1.33
Rot. Bonds5

About 3-amino-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide

3-amino-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide (PubChem CID 79850425) has the molecular formula C8H16N4O4S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-amino-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide
PubChem CID79850425
Molecular FormulaC8H16N4O4S2
Molecular Weight296.37 g/mol
Exact Mass296.06
IUPAC Name3-amino-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C8H16N4O4S2/c1-11-6-7(8(9)10-11)18(15,16)12(2)4-5-17(3,13)14/h6H,4-5H2,1-3H3,(H2,9,10)
InChIKeyRQNTXRHNMZKTCM-UHFFFAOYSA-N
XLogP-1.33
TPSA115.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide (CID 79850425) is 3-amino-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide is CN(CCS(C)(=O)=O)S(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide?
The InChIKey is RQNTXRHNMZKTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O4S2/c1-11-6-7(8(9)10-11)18(15,16)12(2)4-5-17(3,13)14/h6H,4-5H2,1-3H3,(H2,9,10).
What are the key properties of 3-amino-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide?
3-amino-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide has a molecular weight of 296.37 g/mol, XLogP of -1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 79850425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).