4-chloro-N-(2-ethylbutyl)-1-methylpyrazole-5-sulfonamide

C10H18ClN3O2S — CID 106150634

IUPAC4-chloro-N-(2-ethylbutyl)-1-methylpyrazole-5-sulfonamide
SMILESCCC(CC)CNS(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C10H18ClN3O2S/c1-4-8(5-2)6-13-17(15,16)10-9(11)7-12-14(10)3/h7-8,13H,4-6H2,1-3H3
InChIKeyZFCNXZFDVFPTSL-UHFFFAOYSA-N
MW279.79 g/mol
LogP1.79
Rot. Bonds6

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

4-chloro-N-(2-ethylbutyl)-1-methylpyrazole-5-sulfonamide (PubChem CID 106150634) has the molecular formula C10H18ClN3O2S and a molecular weight of 279.79 g/mol. Its IUPAC name is 4-chloro-N-(2-ethylbutyl)-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-ethylbutyl)-1-methylpyrazole-5-sulfonamide
PubChem CID106150634
Molecular FormulaC10H18ClN3O2S
Molecular Weight279.79 g/mol
Exact Mass279.08
IUPAC Name4-chloro-N-(2-ethylbutyl)-1-methylpyrazole-5-sulfonamide
SMILESCCC(CC)CNS(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C10H18ClN3O2S/c1-4-8(5-2)6-13-17(15,16)10-9(11)7-12-14(10)3/h7-8,13H,4-6H2,1-3H3
InChIKeyZFCNXZFDVFPTSL-UHFFFAOYSA-N
XLogP1.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 114172506
N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide;hydrochloride
CID 121606727
4-chloro-1-(2-methylpropyl)-1H-pyrazole-5-sulfonyl fluoride
CID 165460479
4-chloro-1-methyl-1H-pyrazole-3-sulfonamide
CID 13474467
4-chloro-N-ethyl-N,1-dimethylpyrazole-5-sulfinamide
CID 156567183
4-chloro-1-isobutyl-1H-pyrazole-5-sulfonyl chloride
CID 50896589
1-(3-aminopropyl)-N-ethyl-N-(2-ethylbutyl)pyrazole-4-sulfonamide
CID 65780255
N-(4-amino-2-ethylbutyl)-1-methylpyrazole-4-sulfonamide
CID 80314167
N-(4-chloro-2-ethylbutyl)-1-methylpyrazole-4-sulfonamide
CID 80314229
4-chloro-1-(methoxymethyl)-1H-pyrazole-5-sulfonamide
CID 91662787
1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-4-sulfonamide
CID 102912959
2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-3-sulfonamide
CID 102913055

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethylbutyl)-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-(2-ethylbutyl)-1-methylpyrazole-5-sulfonamide (CID 106150634) is 4-chloro-N-(2-ethylbutyl)-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-(2-ethylbutyl)-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-(2-ethylbutyl)-1-methylpyrazole-5-sulfonamide is CCC(CC)CNS(=O)(=O)c1c(Cl)cnn1C.
What is the InChIKey of 4-chloro-N-(2-ethylbutyl)-1-methylpyrazole-5-sulfonamide?
The InChIKey is ZFCNXZFDVFPTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2S/c1-4-8(5-2)6-13-17(15,16)10-9(11)7-12-14(10)3/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 4-chloro-N-(2-ethylbutyl)-1-methylpyrazole-5-sulfonamide?
4-chloro-N-(2-ethylbutyl)-1-methylpyrazole-5-sulfonamide has a molecular weight of 279.79 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethylbutyl)-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106150634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).