4-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]cyclohexyl]-4-hydroxybutanoic acid

C18H26ClNO5S — CID 19882517

IUPAC4-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]cyclohexyl]-4-hydroxybutanoic acid
SMILESO=C(O)CCC(O)C1CCC(CCNS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H26ClNO5S/c19-15-5-7-16(8-6-15)26(24,25)20-12-11-13-1-3-14(4-2-13)17(21)9-10-18(22)23/h5-8,13-14,17,20-21H,1-4,9-12H2,(H,22,23)
InChIKeyHXRVDRQEAIVEPG-UHFFFAOYSA-N
MW403.93 g/mol
LogP3.04
Rot. Bonds9

About 4-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]cyclohexyl]-4-hydroxybutanoic acid

4-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]cyclohexyl]-4-hydroxybutanoic acid (PubChem CID 19882517) has the molecular formula C18H26ClNO5S and a molecular weight of 403.93 g/mol. Its IUPAC name is 4-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]cyclohexyl]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]cyclohexyl]-4-hydroxybutanoic acid
PubChem CID19882517
Molecular FormulaC18H26ClNO5S
Molecular Weight403.93 g/mol
Exact Mass403.12
IUPAC Name4-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]cyclohexyl]-4-hydroxybutanoic acid
SMILESO=C(O)CCC(O)C1CCC(CCNS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H26ClNO5S/c19-15-5-7-16(8-6-15)26(24,25)20-12-11-13-1-3-14(4-2-13)17(21)9-10-18(22)23/h5-8,13-14,17,20-21H,1-4,9-12H2,(H,22,23)
InChIKeyHXRVDRQEAIVEPG-UHFFFAOYSA-N
XLogP3.04
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.93
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]cyclohexyl]-4-hydroxybutanoic acid?
The IUPAC name of 4-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]cyclohexyl]-4-hydroxybutanoic acid (CID 19882517) is 4-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]cyclohexyl]-4-hydroxybutanoic acid.
What is the SMILES notation for 4-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]cyclohexyl]-4-hydroxybutanoic acid?
The canonical SMILES for 4-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]cyclohexyl]-4-hydroxybutanoic acid is O=C(O)CCC(O)C1CCC(CCNS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]cyclohexyl]-4-hydroxybutanoic acid?
The InChIKey is HXRVDRQEAIVEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO5S/c19-15-5-7-16(8-6-15)26(24,25)20-12-11-13-1-3-14(4-2-13)17(21)9-10-18(22)23/h5-8,13-14,17,20-21H,1-4,9-12H2,(H,22,23).
What are the key properties of 4-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]cyclohexyl]-4-hydroxybutanoic acid?
4-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]cyclohexyl]-4-hydroxybutanoic acid has a molecular weight of 403.93 g/mol, XLogP of 3.04, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]cyclohexyl]-4-hydroxybutanoic acid is sourced from PubChem (CID 19882517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).