1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide

C20H22ClNO5S2 — CID 55496237

IUPAC1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1
InChIInChI=1S/C20H22ClNO5S2/c1-2-28(24,25)17-11-7-16(8-12-17)22-19(23)20(13-3-4-14-20)29(26,27)18-9-5-15(21)6-10-18/h5-12H,2-4,13-14H2,1H3,(H,22,23)
InChIKeyPFJOBTFWNNRPOZ-UHFFFAOYSA-N
MW455.99 g/mol
LogP3.86
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide (PubChem CID 55496237) has the molecular formula C20H22ClNO5S2 and a molecular weight of 455.99 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide
PubChem CID55496237
Molecular FormulaC20H22ClNO5S2
Molecular Weight455.99 g/mol
Exact Mass455.06
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1
InChIInChI=1S/C20H22ClNO5S2/c1-2-28(24,25)17-11-7-16(8-12-17)22-19(23)20(13-3-4-14-20)29(26,27)18-9-5-15(21)6-10-18/h5-12H,2-4,13-14H2,1H3,(H,22,23)
InChIKeyPFJOBTFWNNRPOZ-UHFFFAOYSA-N
XLogP3.86
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.99
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 31825356
1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 5189805
1-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide
CID 2318019
N-(5-acetamido-2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
CID 55917246
1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 15993585
1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)cyclopentane-1-carboxamide
CID 51277668
N-(6-amino-3-pyridinyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
CID 119515163
1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)cyclopentane-1-carboxamide
CID 39675141
1-(4-chlorophenyl)sulfonyl-N-(2-ethoxyphenyl)cyclopentane-1-carboxamide
CID 41486617
1-(benzenesulfonyl)-N-phenylcyclopentane-1-carboxamide
CID 17438426
1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 78840798
1-(4-chlorophenyl)sulfonyl-N-[3-(methylamino)propyl]cyclopentane-1-carboxamide
CID 119430175

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide (CID 55496237) is 1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide is CCS(=O)(=O)c1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide?
The InChIKey is PFJOBTFWNNRPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO5S2/c1-2-28(24,25)17-11-7-16(8-12-17)22-19(23)20(13-3-4-14-20)29(26,27)18-9-5-15(21)6-10-18/h5-12H,2-4,13-14H2,1H3,(H,22,23).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide has a molecular weight of 455.99 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 55496237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).