N,N-dimethylsulfamoyl chloride;4-methyl-1H-pyrazole;N,N,4-trimethylpyrazole-1-sulfonamide

C12H23ClN6O4S2 — CID 158014659

IUPACN,N-dimethylsulfamoyl chloride;4-methyl-1H-pyrazole;N,N,4-trimethylpyrazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)Cl.Cc1cn[nH]c1.Cc1cnn(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C6H11N3O2S.C4H6N2.C2H6ClNO2S/c1-6-4-7-9(5-6)12(10,11)8(2)3;1-4-2-5-6-3-4;1-4(2)7(3,5)6/h4-5H,1-3H3;2-3H,1H3,(H,5,6);1-2H3
InChIKeyFFHSHTYMNREGOT-UHFFFAOYSA-N
MW414.94 g/mol
LogP0.60
Rot. Bonds3

About N,N-dimethylsulfamoyl chloride;4-methyl-1H-pyrazole;N,N,4-trimethylpyrazole-1-sulfonamide

N,N-dimethylsulfamoyl chloride;4-methyl-1H-pyrazole;N,N,4-trimethylpyrazole-1-sulfonamide (PubChem CID 158014659) has the molecular formula C12H23ClN6O4S2 and a molecular weight of 414.94 g/mol. Its IUPAC name is N,N-dimethylsulfamoyl chloride;4-methyl-1H-pyrazole;N,N,4-trimethylpyrazole-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethylsulfamoyl chloride;4-methyl-1H-pyrazole;N,N,4-trimethylpyrazole-1-sulfonamide
PubChem CID158014659
Molecular FormulaC12H23ClN6O4S2
Molecular Weight414.94 g/mol
Exact Mass414.09
IUPAC NameN,N-dimethylsulfamoyl chloride;4-methyl-1H-pyrazole;N,N,4-trimethylpyrazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)Cl.Cc1cn[nH]c1.Cc1cnn(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C6H11N3O2S.C4H6N2.C2H6ClNO2S/c1-6-4-7-9(5-6)12(10,11)8(2)3;1-4-2-5-6-3-4;1-4(2)7(3,5)6/h4-5H,1-3H3;2-3H,1H3,(H,5,6);1-2H3
InChIKeyFFHSHTYMNREGOT-UHFFFAOYSA-N
XLogP0.60
TPSA121.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylsulfamoyl chloride;4-methyl-1H-pyrazole;N,N,4-trimethylpyrazole-1-sulfonamide?
The IUPAC name of N,N-dimethylsulfamoyl chloride;4-methyl-1H-pyrazole;N,N,4-trimethylpyrazole-1-sulfonamide (CID 158014659) is N,N-dimethylsulfamoyl chloride;4-methyl-1H-pyrazole;N,N,4-trimethylpyrazole-1-sulfonamide.
What is the SMILES notation for N,N-dimethylsulfamoyl chloride;4-methyl-1H-pyrazole;N,N,4-trimethylpyrazole-1-sulfonamide?
The canonical SMILES for N,N-dimethylsulfamoyl chloride;4-methyl-1H-pyrazole;N,N,4-trimethylpyrazole-1-sulfonamide is CN(C)S(=O)(=O)Cl.Cc1cn[nH]c1.Cc1cnn(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethylsulfamoyl chloride;4-methyl-1H-pyrazole;N,N,4-trimethylpyrazole-1-sulfonamide?
The InChIKey is FFHSHTYMNREGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S.C4H6N2.C2H6ClNO2S/c1-6-4-7-9(5-6)12(10,11)8(2)3;1-4-2-5-6-3-4;1-4(2)7(3,5)6/h4-5H,1-3H3;2-3H,1H3,(H,5,6);1-2H3.
What are the key properties of N,N-dimethylsulfamoyl chloride;4-methyl-1H-pyrazole;N,N,4-trimethylpyrazole-1-sulfonamide?
N,N-dimethylsulfamoyl chloride;4-methyl-1H-pyrazole;N,N,4-trimethylpyrazole-1-sulfonamide has a molecular weight of 414.94 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylsulfamoyl chloride;4-methyl-1H-pyrazole;N,N,4-trimethylpyrazole-1-sulfonamide is sourced from PubChem (CID 158014659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).