1-(3-methylphenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopentane-1-carboxamide

C17H21N3O3S — CID 56823727

IUPAC1-(3-methylphenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopentane-1-carboxamide
SMILESCc1cccc(C2(C(=O)NS(=O)(=O)c3cnn(C)c3)CCCC2)c1
InChIInChI=1S/C17H21N3O3S/c1-13-6-5-7-14(10-13)17(8-3-4-9-17)16(21)19-24(22,23)15-11-18-20(2)12-15/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,19,21)
InChIKeyHBOOBLCYFVGQNC-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.05
Rot. Bonds4

About 1-(3-methylphenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopentane-1-carboxamide

1-(3-methylphenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopentane-1-carboxamide (PubChem CID 56823727) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopentane-1-carboxamide
PubChem CID56823727
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name1-(3-methylphenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopentane-1-carboxamide
SMILESCc1cccc(C2(C(=O)NS(=O)(=O)c3cnn(C)c3)CCCC2)c1
InChIInChI=1S/C17H21N3O3S/c1-13-6-5-7-14(10-13)17(8-3-4-9-17)16(21)19-24(22,23)15-11-18-20(2)12-15/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,19,21)
InChIKeyHBOOBLCYFVGQNC-UHFFFAOYSA-N
XLogP2.05
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopentane-1-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopentane-1-carboxamide (CID 56823727) is 1-(3-methylphenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopentane-1-carboxamide is Cc1cccc(C2(C(=O)NS(=O)(=O)c3cnn(C)c3)CCCC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopentane-1-carboxamide?
The InChIKey is HBOOBLCYFVGQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-13-6-5-7-14(10-13)17(8-3-4-9-17)16(21)19-24(22,23)15-11-18-20(2)12-15/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,19,21).
What are the key properties of 1-(3-methylphenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopentane-1-carboxamide?
1-(3-methylphenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopentane-1-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopentane-1-carboxamide is sourced from PubChem (CID 56823727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).