4-chloro-N-cyclopentyl-1-methylpyrazole-5-sulfonamide

C9H14ClN3O2S — CID 106150565

IUPAC4-chloro-N-cyclopentyl-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C9H14ClN3O2S/c1-13-9(8(10)6-11-13)16(14,15)12-7-4-2-3-5-7/h6-7,12H,2-5H2,1H3
InChIKeyLQAFXJWEAQWTBJ-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.29
Rot. Bonds3

About 4-chloro-N-cyclopentyl-1-methylpyrazole-5-sulfonamide

4-chloro-N-cyclopentyl-1-methylpyrazole-5-sulfonamide (PubChem CID 106150565) has the molecular formula C9H14ClN3O2S and a molecular weight of 263.75 g/mol. Its IUPAC name is 4-chloro-N-cyclopentyl-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-cyclopentyl-1-methylpyrazole-5-sulfonamide
PubChem CID106150565
Molecular FormulaC9H14ClN3O2S
Molecular Weight263.75 g/mol
Exact Mass263.05
IUPAC Name4-chloro-N-cyclopentyl-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C9H14ClN3O2S/c1-13-9(8(10)6-11-13)16(14,15)12-7-4-2-3-5-7/h6-7,12H,2-5H2,1H3
InChIKeyLQAFXJWEAQWTBJ-UHFFFAOYSA-N
XLogP1.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-ethyl-1H-pyrazole-4-sulfonamide
CID 19582858
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-cyclopentyl-1H-pyrazole-5-sulfonyl fluoride
CID 165460532
1-(butan-2-yl)-4-chloro-1H-pyrazole-5-sulfonyl fluoride
CID 165460534
4-chloro-1-methyl-1H-pyrazole-3-sulfonamide
CID 13474467
4-Chloro-1-propan-2-ylpyrazole-3-sulfinamide
CID 138532500
4-Chloro-1-propan-2-ylpyrazole-3-sulfonamide
CID 146618880
4-chloro-N-ethyl-N,1-dimethylpyrazole-5-sulfinamide
CID 156567183
Cyclopentyl[(1-methylpyrazol-4-yl)sulfonyl]amine
CID 19582791
1-sec-butyl-4-chloro-1H-pyrazole-5-sulfonyl chloride
CID 50896596
4-chloro-1-cyclopentyl-1H-pyrazole-5-sulfonyl chloride
CID 50896637

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopentyl-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-cyclopentyl-1-methylpyrazole-5-sulfonamide (CID 106150565) is 4-chloro-N-cyclopentyl-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-cyclopentyl-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-cyclopentyl-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 4-chloro-N-cyclopentyl-1-methylpyrazole-5-sulfonamide?
The InChIKey is LQAFXJWEAQWTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2S/c1-13-9(8(10)6-11-13)16(14,15)12-7-4-2-3-5-7/h6-7,12H,2-5H2,1H3.
What are the key properties of 4-chloro-N-cyclopentyl-1-methylpyrazole-5-sulfonamide?
4-chloro-N-cyclopentyl-1-methylpyrazole-5-sulfonamide has a molecular weight of 263.75 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopentyl-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106150565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).