1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)cyclopentane-1-carboxamide

C21H24ClNO6S — CID 39675141

IUPAC1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1cc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc(OC)c1OC
InChIInChI=1S/C21H24ClNO6S/c1-27-17-12-15(13-18(28-2)19(17)29-3)23-20(24)21(10-4-5-11-21)30(25,26)16-8-6-14(22)7-9-16/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,23,24)
InChIKeyMRFXNDGAYHRTKX-UHFFFAOYSA-N
MW453.94 g/mol
LogP4.09
Rot. Bonds7

About 1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)cyclopentane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 39675141) has the molecular formula C21H24ClNO6S and a molecular weight of 453.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)cyclopentane-1-carboxamide
PubChem CID39675141
Molecular FormulaC21H24ClNO6S
Molecular Weight453.94 g/mol
Exact Mass453.10
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1cc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc(OC)c1OC
InChIInChI=1S/C21H24ClNO6S/c1-27-17-12-15(13-18(28-2)19(17)29-3)23-20(24)21(10-4-5-11-21)30(25,26)16-8-6-14(22)7-9-16/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,23,24)
InChIKeyMRFXNDGAYHRTKX-UHFFFAOYSA-N
XLogP4.09
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.94
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 24592826
1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide
CID 55496237
N-(5-acetamido-2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
CID 55917246
methyl 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate
CID 52542659
1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 31825356
1-(4-chlorophenyl)sulfonyl-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide
CID 2326893
1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 5189805
N-(6-amino-3-pyridinyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
CID 119515163
methyl 5-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-2-fluorobenzoate
CID 30473775
N-(5-acetamido-2-methoxyphenyl)-1-(benzenesulfonyl)cyclopentane-1-carboxamide
CID 16595027
1-(4-chlorophenyl)sulfonyl-N-(2-ethoxyphenyl)cyclopentane-1-carboxamide
CID 41486617
1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 15993585

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)cyclopentane-1-carboxamide (CID 39675141) is 1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)cyclopentane-1-carboxamide is COc1cc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc(OC)c1OC.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is MRFXNDGAYHRTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO6S/c1-27-17-12-15(13-18(28-2)19(17)29-3)23-20(24)21(10-4-5-11-21)30(25,26)16-8-6-14(22)7-9-16/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,23,24).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)cyclopentane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 453.94 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 39675141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).