1-(3,5-dibromopyrazol-1-yl)-N-methylmethanesulfonamide

C5H7Br2N3O2S — CID 146310336

IUPAC1-(3,5-dibromopyrazol-1-yl)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cn1nc(Br)cc1Br
InChIInChI=1S/C5H7Br2N3O2S/c1-8-13(11,12)3-10-5(7)2-4(6)9-10/h2,8H,3H2,1H3
InChIKeyXSFVOWQPXLKECY-UHFFFAOYSA-N
MW333.01 g/mol
LogP0.91
Rot. Bonds3

About 1-(3,5-dibromopyrazol-1-yl)-N-methylmethanesulfonamide

1-(3,5-dibromopyrazol-1-yl)-N-methylmethanesulfonamide (PubChem CID 146310336) has the molecular formula C5H7Br2N3O2S and a molecular weight of 333.01 g/mol. Its IUPAC name is 1-(3,5-dibromopyrazol-1-yl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(3,5-dibromopyrazol-1-yl)-N-methylmethanesulfonamide
PubChem CID146310336
Molecular FormulaC5H7Br2N3O2S
Molecular Weight333.01 g/mol
Exact Mass330.86
IUPAC Name1-(3,5-dibromopyrazol-1-yl)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cn1nc(Br)cc1Br
InChIInChI=1S/C5H7Br2N3O2S/c1-8-13(11,12)3-10-5(7)2-4(6)9-10/h2,8H,3H2,1H3
InChIKeyXSFVOWQPXLKECY-UHFFFAOYSA-N
XLogP0.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.01
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromopyrazol-1-yl)-N-methylmethanesulfonamide?
The IUPAC name of 1-(3,5-dibromopyrazol-1-yl)-N-methylmethanesulfonamide (CID 146310336) is 1-(3,5-dibromopyrazol-1-yl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(3,5-dibromopyrazol-1-yl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-(3,5-dibromopyrazol-1-yl)-N-methylmethanesulfonamide is CNS(=O)(=O)Cn1nc(Br)cc1Br.
What is the InChIKey of 1-(3,5-dibromopyrazol-1-yl)-N-methylmethanesulfonamide?
The InChIKey is XSFVOWQPXLKECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Br2N3O2S/c1-8-13(11,12)3-10-5(7)2-4(6)9-10/h2,8H,3H2,1H3.
What are the key properties of 1-(3,5-dibromopyrazol-1-yl)-N-methylmethanesulfonamide?
1-(3,5-dibromopyrazol-1-yl)-N-methylmethanesulfonamide has a molecular weight of 333.01 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromopyrazol-1-yl)-N-methylmethanesulfonamide is sourced from PubChem (CID 146310336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).