1-(3,3-dichloroprop-2-enyl)-N,N-dimethylpyrazole-4-sulfonamide

C8H11Cl2N3O2S — CID 126837054

IUPAC1-(3,3-dichloroprop-2-enyl)-N,N-dimethylpyrazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1cnn(CC=C(Cl)Cl)c1
InChIInChI=1S/C8H11Cl2N3O2S/c1-12(2)16(14,15)7-5-11-13(6-7)4-3-8(9)10/h3,5-6H,4H2,1-2H3
InChIKeyQJJBJNIYXBNWBX-UHFFFAOYSA-N
MW284.17 g/mol
LogP1.45
Rot. Bonds4

About 1-(3,3-dichloroprop-2-enyl)-N,N-dimethylpyrazole-4-sulfonamide

1-(3,3-dichloroprop-2-enyl)-N,N-dimethylpyrazole-4-sulfonamide (PubChem CID 126837054) has the molecular formula C8H11Cl2N3O2S and a molecular weight of 284.17 g/mol. Its IUPAC name is 1-(3,3-dichloroprop-2-enyl)-N,N-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3,3-dichloroprop-2-enyl)-N,N-dimethylpyrazole-4-sulfonamide
PubChem CID126837054
Molecular FormulaC8H11Cl2N3O2S
Molecular Weight284.17 g/mol
Exact Mass282.99
IUPAC Name1-(3,3-dichloroprop-2-enyl)-N,N-dimethylpyrazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1cnn(CC=C(Cl)Cl)c1
InChIInChI=1S/C8H11Cl2N3O2S/c1-12(2)16(14,15)7-5-11-13(6-7)4-3-8(9)10/h3,5-6H,4H2,1-2H3
InChIKeyQJJBJNIYXBNWBX-UHFFFAOYSA-N
XLogP1.45
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.17
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(diethylamino)ethyl]-N,N-dimethylpyrazole-4-sulfonamide
CID 167763013
1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide
CID 167877862
2-[2-[4-(dimethylsulfamoyl)pyrazol-1-yl]ethoxy]benzoic acid
CID 138001967
2-[4-[but-3-enyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 114265136
2-[4-[methyl(2-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 63983446
2-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 104551510
1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide
CID 155948615
2-[4-(dipropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511008
2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43613863
1-ethyl-N-(5-iodopyrimidin-2-yl)-N-methylpyrazole-4-sulfonamide
CID 154766940
methyl (E)-4-(4-methylsulfonylpyrazol-1-yl)but-2-enoate
CID 165472264
3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 114230136

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dichloroprop-2-enyl)-N,N-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-(3,3-dichloroprop-2-enyl)-N,N-dimethylpyrazole-4-sulfonamide (CID 126837054) is 1-(3,3-dichloroprop-2-enyl)-N,N-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(3,3-dichloroprop-2-enyl)-N,N-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(3,3-dichloroprop-2-enyl)-N,N-dimethylpyrazole-4-sulfonamide is CN(C)S(=O)(=O)c1cnn(CC=C(Cl)Cl)c1.
What is the InChIKey of 1-(3,3-dichloroprop-2-enyl)-N,N-dimethylpyrazole-4-sulfonamide?
The InChIKey is QJJBJNIYXBNWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N3O2S/c1-12(2)16(14,15)7-5-11-13(6-7)4-3-8(9)10/h3,5-6H,4H2,1-2H3.
What are the key properties of 1-(3,3-dichloroprop-2-enyl)-N,N-dimethylpyrazole-4-sulfonamide?
1-(3,3-dichloroprop-2-enyl)-N,N-dimethylpyrazole-4-sulfonamide has a molecular weight of 284.17 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dichloroprop-2-enyl)-N,N-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 126837054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).