1-methyl-3-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-sulfonamide

C8H15N5O4S2 — CID 61131751

IUPAC1-methyl-3-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-sulfonamide
SMILESCn1cc(S(N)(=O)=O)c(NS(=O)(=O)N2CCCC2)n1
InChIInChI=1S/C8H15N5O4S2/c1-12-6-7(18(9,14)15)8(10-12)11-19(16,17)13-4-2-3-5-13/h6H,2-5H2,1H3,(H,10,11)(H2,9,14,15)
InChIKeyCGXDFKONDPXOBX-UHFFFAOYSA-N
MW309.37 g/mol
LogP-1.18
Rot. Bonds4

About 1-methyl-3-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-sulfonamide

1-methyl-3-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-sulfonamide (PubChem CID 61131751) has the molecular formula C8H15N5O4S2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-methyl-3-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-3-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-sulfonamide
PubChem CID61131751
Molecular FormulaC8H15N5O4S2
Molecular Weight309.37 g/mol
Exact Mass309.06
IUPAC Name1-methyl-3-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-sulfonamide
SMILESCn1cc(S(N)(=O)=O)c(NS(=O)(=O)N2CCCC2)n1
InChIInChI=1S/C8H15N5O4S2/c1-12-6-7(18(9,14)15)8(10-12)11-19(16,17)13-4-2-3-5-13/h6H,2-5H2,1H3,(H,10,11)(H2,9,14,15)
InChIKeyCGXDFKONDPXOBX-UHFFFAOYSA-N
XLogP-1.18
TPSA127.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methyl-4-sulfamoylpyrazol-3-yl)morpholine-4-sulfonamide
CID 61131439
1-methyl-3-(propan-2-ylsulfonylamino)pyrazole-4-sulfonamide
CID 61132283
N-(1-methyl-4-sulfamoylpyrazol-3-yl)piperidine-1-carboxamide
CID 79155036
N-(1-methyl-4-sulfamoylpyrazol-3-yl)morpholine-4-carboxamide
CID 79152077
2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)-1,3-thiazole-5-sulfonamide
CID 103415785
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-1-methylpyrazole-4-sulfonamide
CID 61131337
2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)propanamide
CID 61131141
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylpiperidine-1-sulfonamide
CID 104592934
1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrazole-4-carboxamide
CID 61132038
3,5-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61131914
1-(3-tert-butyl-1-methylpyrazol-4-yl)sulfonylazepane
CID 42283445
N-(1-methyl-4-sulfamoylpyrazol-3-yl)-2-(oxolan-2-yl)acetamide
CID 65159312

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-3-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-sulfonamide (CID 61131751) is 1-methyl-3-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-3-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-3-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-sulfonamide is Cn1cc(S(N)(=O)=O)c(NS(=O)(=O)N2CCCC2)n1.
What is the InChIKey of 1-methyl-3-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-sulfonamide?
The InChIKey is CGXDFKONDPXOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O4S2/c1-12-6-7(18(9,14)15)8(10-12)11-19(16,17)13-4-2-3-5-13/h6H,2-5H2,1H3,(H,10,11)(H2,9,14,15).
What are the key properties of 1-methyl-3-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-sulfonamide?
1-methyl-3-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-sulfonamide has a molecular weight of 309.37 g/mol, XLogP of -1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-sulfonamide is sourced from PubChem (CID 61131751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).