N'-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N,N-dimethylmethanimidamide

C8H13ClN4O2S — CID 2777153

IUPACN'-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N,N-dimethylmethanimidamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N=CN(C)C
InChIInChI=1S/C8H13ClN4O2S/c1-6-7(8(9)13(4)11-6)16(14,15)10-5-12(2)3/h5H,1-4H3
InChIKeyWIOFVUMVRUIMQF-UHFFFAOYSA-N
MW264.74 g/mol
LogP0.66
Rot. Bonds3

About N'-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N,N-dimethylmethanimidamide

N'-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N,N-dimethylmethanimidamide (PubChem CID 2777153) has the molecular formula C8H13ClN4O2S and a molecular weight of 264.74 g/mol. Its IUPAC name is N'-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N,N-dimethylmethanimidamide
PubChem CID2777153
Molecular FormulaC8H13ClN4O2S
Molecular Weight264.74 g/mol
Exact Mass264.04
IUPAC NameN'-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N,N-dimethylmethanimidamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N=CN(C)C
InChIInChI=1S/C8H13ClN4O2S/c1-6-7(8(9)13(4)11-6)16(14,15)10-5-12(2)3/h5H,1-4H3
InChIKeyWIOFVUMVRUIMQF-UHFFFAOYSA-N
XLogP0.66
TPSA67.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N,N-dimethylmethanimidamide (CID 2777153) is N'-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N,N-dimethylmethanimidamide is Cc1nn(C)c(Cl)c1S(=O)(=O)N=CN(C)C.
What is the InChIKey of N'-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N,N-dimethylmethanimidamide?
The InChIKey is WIOFVUMVRUIMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O2S/c1-6-7(8(9)13(4)11-6)16(14,15)10-5-12(2)3/h5H,1-4H3.
What are the key properties of N'-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N,N-dimethylmethanimidamide?
N'-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N,N-dimethylmethanimidamide has a molecular weight of 264.74 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N,N-dimethylmethanimidamide is sourced from PubChem (CID 2777153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).