3-[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylpropanoic acid

C16H20ClNO5S — CID 119237490

IUPAC3-[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)C(=O)O
InChIInChI=1S/C16H20ClNO5S/c1-11(14(19)20)10-18-15(21)16(8-2-3-9-16)24(22,23)13-6-4-12(17)5-7-13/h4-7,11H,2-3,8-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyZYRSLUCMRYFNAQ-UHFFFAOYSA-N
MW373.86 g/mol
LogP2.26
Rot. Bonds6

About 3-[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylpropanoic acid

3-[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylpropanoic acid (PubChem CID 119237490) has the molecular formula C16H20ClNO5S and a molecular weight of 373.86 g/mol. Its IUPAC name is 3-[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylpropanoic acid
PubChem CID119237490
Molecular FormulaC16H20ClNO5S
Molecular Weight373.86 g/mol
Exact Mass373.08
IUPAC Name3-[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)C(=O)O
InChIInChI=1S/C16H20ClNO5S/c1-11(14(19)20)10-18-15(21)16(8-2-3-9-16)24(22,23)13-6-4-12(17)5-7-13/h4-7,11H,2-3,8-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyZYRSLUCMRYFNAQ-UHFFFAOYSA-N
XLogP2.26
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
CID 119626480
1-(4-chlorophenyl)sulfonyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)cyclopentane-1-carboxamide
CID 138992199
1-(4-chlorophenyl)sulfonyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 37393006
methyl 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate
CID 52542659
1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide
CID 55496237
1-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 22429126
1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)cyclopentane-1-carboxamide
CID 51277668
1-(4-chlorophenyl)sulfonyl-N-(piperidin-3-ylmethyl)cyclopentane-1-carboxamide
CID 119460551
1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 31825356
1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 55634206

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylpropanoic acid (CID 119237490) is 3-[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylpropanoic acid is CC(CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)C(=O)O.
What is the InChIKey of 3-[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylpropanoic acid?
The InChIKey is ZYRSLUCMRYFNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO5S/c1-11(14(19)20)10-18-15(21)16(8-2-3-9-16)24(22,23)13-6-4-12(17)5-7-13/h4-7,11H,2-3,8-10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylpropanoic acid?
3-[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylpropanoic acid has a molecular weight of 373.86 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 119237490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).