1-(3-methylcyclohexyl)pyrazole-4-sulfonamide

C10H17N3O2S — CID 81340370

IUPAC1-(3-methylcyclohexyl)pyrazole-4-sulfonamide
SMILESCC1CCCC(n2cc(S(N)(=O)=O)cn2)C1
InChIInChI=1S/C10H17N3O2S/c1-8-3-2-4-9(5-8)13-7-10(6-12-13)16(11,14)15/h6-9H,2-5H2,1H3,(H2,11,14,15)
InChIKeyFHXFBBJDOIMMKU-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.28
Rot. Bonds2

About 1-(3-methylcyclohexyl)pyrazole-4-sulfonamide

1-(3-methylcyclohexyl)pyrazole-4-sulfonamide (PubChem CID 81340370) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)pyrazole-4-sulfonamide
PubChem CID81340370
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-(3-methylcyclohexyl)pyrazole-4-sulfonamide
SMILESCC1CCCC(n2cc(S(N)(=O)=O)cn2)C1
InChIInChI=1S/C10H17N3O2S/c1-8-3-2-4-9(5-8)13-7-10(6-12-13)16(11,14)15/h6-9H,2-5H2,1H3,(H2,11,14,15)
InChIKeyFHXFBBJDOIMMKU-UHFFFAOYSA-N
XLogP1.28
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(3-methylcyclohexyl)pyrazole-4-sulfonamide (CID 81340370) is 1-(3-methylcyclohexyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(3-methylcyclohexyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(3-methylcyclohexyl)pyrazole-4-sulfonamide is CC1CCCC(n2cc(S(N)(=O)=O)cn2)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)pyrazole-4-sulfonamide?
The InChIKey is FHXFBBJDOIMMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-8-3-2-4-9(5-8)13-7-10(6-12-13)16(11,14)15/h6-9H,2-5H2,1H3,(H2,11,14,15).
What are the key properties of 1-(3-methylcyclohexyl)pyrazole-4-sulfonamide?
1-(3-methylcyclohexyl)pyrazole-4-sulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 81340370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).