1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide

C25H24ClN3O4S — CID 31825356

IUPAC1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1
InChIInChI=1S/C25H24ClN3O4S/c26-18-8-14-22(15-9-18)34(32,33)25(16-4-5-17-25)23(30)27-20-10-12-21(13-11-20)29-24(31)28-19-6-2-1-3-7-19/h1-3,6-15H,4-5,16-17H2,(H,27,30)(H2,28,29,31)
InChIKeyKGDJKIJLFFHCIL-UHFFFAOYSA-N
MW498.00 g/mol
LogP5.71
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide (PubChem CID 31825356) has the molecular formula C25H24ClN3O4S and a molecular weight of 498.00 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide
PubChem CID31825356
Molecular FormulaC25H24ClN3O4S
Molecular Weight498.00 g/mol
Exact Mass497.12
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1
InChIInChI=1S/C25H24ClN3O4S/c26-18-8-14-22(15-9-18)34(32,33)25(16-4-5-17-25)23(30)27-20-10-12-21(13-11-20)29-24(31)28-19-6-2-1-3-7-19/h1-3,6-15H,4-5,16-17H2,(H,27,30)(H2,28,29,31)
InChIKeyKGDJKIJLFFHCIL-UHFFFAOYSA-N
XLogP5.71
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.00
LogP ≤ 55.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-phenylcyclopentane-1-carboxamide
CID 17438426
1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide
CID 55496237
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
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-(5-acetamido-2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
CID 55917246
1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)cyclopentane-1-carboxamide
CID 39675141
N-(2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide
CID 15999936
1-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide
CID 2318019
1-(benzenesulfonyl)-N-(4-ethoxyphenyl)cyclopentane-1-carboxamide
CID 17390768
1-(4-chlorophenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopentane-1-carboxamide
CID 39639078

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide (CID 31825356) is 1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide is O=C(Nc1ccccc1)Nc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide?
The InChIKey is KGDJKIJLFFHCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O4S/c26-18-8-14-22(15-9-18)34(32,33)25(16-4-5-17-25)23(30)27-20-10-12-21(13-11-20)29-24(31)28-19-6-2-1-3-7-19/h1-3,6-15H,4-5,16-17H2,(H,27,30)(H2,28,29,31).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide has a molecular weight of 498.00 g/mol, XLogP of 5.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 31825356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).