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

C10H16ClN3O2S — CID 106150553

IUPAC4-chloro-N-cyclohexyl-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C10H16ClN3O2S/c1-14-10(9(11)7-12-14)17(15,16)13-8-5-3-2-4-6-8/h7-8,13H,2-6H2,1H3
InChIKeyVAZBRJQQHFPYBN-UHFFFAOYSA-N
MW277.78 g/mol
LogP1.68
Rot. Bonds3

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

4-chloro-N-cyclohexyl-1-methylpyrazole-5-sulfonamide (PubChem CID 106150553) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is 4-chloro-N-cyclohexyl-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-cyclohexyl-1-methylpyrazole-5-sulfonamide
PubChem CID106150553
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC Name4-chloro-N-cyclohexyl-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C10H16ClN3O2S/c1-14-10(9(11)7-12-14)17(15,16)13-8-5-3-2-4-6-8/h7-8,13H,2-6H2,1H3
InChIKeyVAZBRJQQHFPYBN-UHFFFAOYSA-N
XLogP1.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-ethylpyrazole-4-sulfonamide
CID 6466244
N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 114172506
4-chloro-1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-5-sulfonamide
CID 121708302
4-chloro-1-cyclopentyl-1H-pyrazole-5-sulfonyl fluoride
CID 165460532
N-cyclohexyl-5-fluoro-1-methylpyrazole-4-sulfonamide
CID 167847657
Cyclohexyl[(1-methylpyrazol-4-yl)sulfonyl]amine
CID 19582819
4-Chloro-1-propan-2-ylpyrazole-3-sulfonamide
CID 146618880
4-chloro-1-cyclopentyl-1H-pyrazole-5-sulfonyl chloride
CID 50896637
N-(4-aminocyclohexyl)-1-methylpyrazole-4-sulfonamide
CID 55211846
N-(3-aminopropyl)-N-cyclohexyl-1-methylpyrazole-4-sulfonamide
CID 62062241
N-(2-chlorocyclohexyl)-1-methylpyrazole-4-sulfonamide
CID 65031248
N-(4-chlorocyclohexyl)-1-methylpyrazole-4-sulfonamide
CID 65033409

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclohexyl-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-cyclohexyl-1-methylpyrazole-5-sulfonamide (CID 106150553) is 4-chloro-N-cyclohexyl-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-cyclohexyl-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-cyclohexyl-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)NC1CCCCC1.
What is the InChIKey of 4-chloro-N-cyclohexyl-1-methylpyrazole-5-sulfonamide?
The InChIKey is VAZBRJQQHFPYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S/c1-14-10(9(11)7-12-14)17(15,16)13-8-5-3-2-4-6-8/h7-8,13H,2-6H2,1H3.
What are the key properties of 4-chloro-N-cyclohexyl-1-methylpyrazole-5-sulfonamide?
4-chloro-N-cyclohexyl-1-methylpyrazole-5-sulfonamide has a molecular weight of 277.78 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclohexyl-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106150553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).