4-chloro-1-methyl-N-(2-methylpropyl)pyrazole-5-sulfonamide

C8H14ClN3O2S — CID 106150564

IUPAC4-chloro-1-methyl-N-(2-methylpropyl)pyrazole-5-sulfonamide
SMILESCC(C)CNS(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C8H14ClN3O2S/c1-6(2)4-11-15(13,14)8-7(9)5-10-12(8)3/h5-6,11H,4H2,1-3H3
InChIKeyHIYHHPVFNQSNLS-UHFFFAOYSA-N
MW251.74 g/mol
LogP1.01
Rot. Bonds4

About 4-chloro-1-methyl-N-(2-methylpropyl)pyrazole-5-sulfonamide

4-chloro-1-methyl-N-(2-methylpropyl)pyrazole-5-sulfonamide (PubChem CID 106150564) has the molecular formula C8H14ClN3O2S and a molecular weight of 251.74 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(2-methylpropyl)pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(2-methylpropyl)pyrazole-5-sulfonamide
PubChem CID106150564
Molecular FormulaC8H14ClN3O2S
Molecular Weight251.74 g/mol
Exact Mass251.05
IUPAC Name4-chloro-1-methyl-N-(2-methylpropyl)pyrazole-5-sulfonamide
SMILESCC(C)CNS(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C8H14ClN3O2S/c1-6(2)4-11-15(13,14)8-7(9)5-10-12(8)3/h5-6,11H,4H2,1-3H3
InChIKeyHIYHHPVFNQSNLS-UHFFFAOYSA-N
XLogP1.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 51.01
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
4-chloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1-methylpyrazole-5-sulfonamide
CID 106316216
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
4-chloro-1-ethyl-1H-pyrazole-5-sulfonyl fluoride
CID 165453367
4-chloro-1-propyl-1H-pyrazole-5-sulfonyl fluoride
CID 165453373
4-chloro-1-(2-methylpropyl)-1H-pyrazole-5-sulfonyl fluoride
CID 165460479

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(2-methylpropyl)pyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-1-methyl-N-(2-methylpropyl)pyrazole-5-sulfonamide (CID 106150564) is 4-chloro-1-methyl-N-(2-methylpropyl)pyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(2-methylpropyl)pyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-1-methyl-N-(2-methylpropyl)pyrazole-5-sulfonamide is CC(C)CNS(=O)(=O)c1c(Cl)cnn1C.
What is the InChIKey of 4-chloro-1-methyl-N-(2-methylpropyl)pyrazole-5-sulfonamide?
The InChIKey is HIYHHPVFNQSNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O2S/c1-6(2)4-11-15(13,14)8-7(9)5-10-12(8)3/h5-6,11H,4H2,1-3H3.
What are the key properties of 4-chloro-1-methyl-N-(2-methylpropyl)pyrazole-5-sulfonamide?
4-chloro-1-methyl-N-(2-methylpropyl)pyrazole-5-sulfonamide has a molecular weight of 251.74 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(2-methylpropyl)pyrazole-5-sulfonamide is sourced from PubChem (CID 106150564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).