4-(4-chlorophenyl)sulfanylpentanoic acid

C11H13ClO2S — CID 62213263

IUPAC4-(4-chlorophenyl)sulfanylpentanoic acid
SMILESCC(CCC(=O)O)Sc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO2S/c1-8(2-7-11(13)14)15-10-5-3-9(12)4-6-10/h3-6,8H,2,7H2,1H3,(H,13,14)
InChIKeyDQUANRKANGTWME-UHFFFAOYSA-N
MW244.74 g/mol
LogP3.69
Rot. Bonds5

About 4-(4-chlorophenyl)sulfanylpentanoic acid

4-(4-chlorophenyl)sulfanylpentanoic acid (PubChem CID 62213263) has the molecular formula C11H13ClO2S and a molecular weight of 244.74 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanylpentanoic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanylpentanoic acid
PubChem CID62213263
Molecular FormulaC11H13ClO2S
Molecular Weight244.74 g/mol
Exact Mass244.03
IUPAC Name4-(4-chlorophenyl)sulfanylpentanoic acid
SMILESCC(CCC(=O)O)Sc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO2S/c1-8(2-7-11(13)14)15-10-5-3-9(12)4-6-10/h3-6,8H,2,7H2,1H3,(H,13,14)
InChIKeyDQUANRKANGTWME-UHFFFAOYSA-N
XLogP3.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-difluorophenyl)sulfanylpentanoic acid
CID 62215056
4-(2-amino-4-chlorophenyl)sulfanylpentanoic acid
CID 62213803
3-(4-chlorophenyl)sulfanylbutan-1-amine
CID 60914334
(3R)-3-(4-chlorophenyl)sulfanylbutanoate
CID 7557534
4-(4-amino-2-chlorophenyl)sulfanylpentanoic acid
CID 62214157
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)pentanoic acid
CID 62212726
3-amino-3-(4-chlorophenyl)sulfanylpropanoic acid
CID 117034731
2-(4-chlorophenyl)sulfanylbutanamide
CID 43916551
(2R)-2-(4-chlorophenyl)sulfanylbutanamide
CID 38010728
4-(4-hydroxyphenyl)sulfanylpentanehydrazide
CID 63581994
4-[(4-chlorophenyl)methoxy]pentanoic acid
CID 65127017
4-[2-(4-chlorophenyl)sulfanylpropanoylamino]-2-methylbutanoic acid
CID 80538017

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanylpentanoic acid?
The IUPAC name of 4-(4-chlorophenyl)sulfanylpentanoic acid (CID 62213263) is 4-(4-chlorophenyl)sulfanylpentanoic acid.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanylpentanoic acid?
The canonical SMILES for 4-(4-chlorophenyl)sulfanylpentanoic acid is CC(CCC(=O)O)Sc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanylpentanoic acid?
The InChIKey is DQUANRKANGTWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2S/c1-8(2-7-11(13)14)15-10-5-3-9(12)4-6-10/h3-6,8H,2,7H2,1H3,(H,13,14).
What are the key properties of 4-(4-chlorophenyl)sulfanylpentanoic acid?
4-(4-chlorophenyl)sulfanylpentanoic acid has a molecular weight of 244.74 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanylpentanoic acid is sourced from PubChem (CID 62213263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).