4-chloro-N-(2-chloroprop-2-enyl)-1-methylpyrazole-5-sulfonamide

C7H9Cl2N3O2S — CID 106150652

IUPAC4-chloro-N-(2-chloroprop-2-enyl)-1-methylpyrazole-5-sulfonamide
SMILESC=C(Cl)CNS(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C7H9Cl2N3O2S/c1-5(8)3-11-15(13,14)7-6(9)4-10-12(7)2/h4,11H,1,3H2,2H3
InChIKeyFRARAIVLEDRIFX-UHFFFAOYSA-N
MW270.14 g/mol
LogP1.10
Rot. Bonds4

About 4-chloro-N-(2-chloroprop-2-enyl)-1-methylpyrazole-5-sulfonamide

4-chloro-N-(2-chloroprop-2-enyl)-1-methylpyrazole-5-sulfonamide (PubChem CID 106150652) has the molecular formula C7H9Cl2N3O2S and a molecular weight of 270.14 g/mol. Its IUPAC name is 4-chloro-N-(2-chloroprop-2-enyl)-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-chloroprop-2-enyl)-1-methylpyrazole-5-sulfonamide
PubChem CID106150652
Molecular FormulaC7H9Cl2N3O2S
Molecular Weight270.14 g/mol
Exact Mass268.98
IUPAC Name4-chloro-N-(2-chloroprop-2-enyl)-1-methylpyrazole-5-sulfonamide
SMILESC=C(Cl)CNS(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C7H9Cl2N3O2S/c1-5(8)3-11-15(13,14)7-6(9)4-10-12(7)2/h4,11H,1,3H2,2H3
InChIKeyFRARAIVLEDRIFX-UHFFFAOYSA-N
XLogP1.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-methyl-1H-pyrazole-3-sulfonyl chloride
CID 84027165
4-Chloro-1-methyl-1H-pyrazole-5-sulfonyl chloride
CID 50896671
4-chloro-1-(methoxymethyl)-1H-pyrazole-5-sulfonyl chloride
CID 91654369
2-Ethyl-4-fluoro-pyrazole-3-sulfonamide
CID 146570516
4-chloro-1-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-5-sulfonamide
CID 106314301
4-chloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1-methylpyrazole-5-sulfonamide
CID 106316216
4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-methylpyrazole-5-sulfonamide
CID 114150483
N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 114172506
N-(2-bromoethyl)-4-chloro-N-(2,2-difluoroethyl)-1-methylpyrazole-5-sulfonamide
CID 114172630
N-(2-bromoethyl)-4-chloro-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-sulfonamide
CID 114172631
4-chloro-N-(2-chloroethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-sulfonamide
CID 114172632
N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide;hydrochloride
CID 121606727

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chloroprop-2-enyl)-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-(2-chloroprop-2-enyl)-1-methylpyrazole-5-sulfonamide (CID 106150652) is 4-chloro-N-(2-chloroprop-2-enyl)-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-(2-chloroprop-2-enyl)-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-(2-chloroprop-2-enyl)-1-methylpyrazole-5-sulfonamide is C=C(Cl)CNS(=O)(=O)c1c(Cl)cnn1C.
What is the InChIKey of 4-chloro-N-(2-chloroprop-2-enyl)-1-methylpyrazole-5-sulfonamide?
The InChIKey is FRARAIVLEDRIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N3O2S/c1-5(8)3-11-15(13,14)7-6(9)4-10-12(7)2/h4,11H,1,3H2,2H3.
What are the key properties of 4-chloro-N-(2-chloroprop-2-enyl)-1-methylpyrazole-5-sulfonamide?
4-chloro-N-(2-chloroprop-2-enyl)-1-methylpyrazole-5-sulfonamide has a molecular weight of 270.14 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chloroprop-2-enyl)-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106150652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).