2,4-dichloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid

C11H11Cl2NO5S — CID 62943175

IUPAC2,4-dichloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCC(O)C2)c(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2NO5S/c12-8-4-9(13)10(3-7(8)11(16)17)20(18,19)14-2-1-6(15)5-14/h3-4,6,15H,1-2,5H2,(H,16,17)
InChIKeyGUUZQWSKVMDOMY-UHFFFAOYSA-N
MW340.18 g/mol
LogP1.45
Rot. Bonds3

About 2,4-dichloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid

2,4-dichloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid (PubChem CID 62943175) has the molecular formula C11H11Cl2NO5S and a molecular weight of 340.18 g/mol. Its IUPAC name is 2,4-dichloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid
PubChem CID62943175
Molecular FormulaC11H11Cl2NO5S
Molecular Weight340.18 g/mol
Exact Mass338.97
IUPAC Name2,4-dichloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCC(O)C2)c(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2NO5S/c12-8-4-9(13)10(3-7(8)11(16)17)20(18,19)14-2-1-6(15)5-14/h3-4,6,15H,1-2,5H2,(H,16,17)
InChIKeyGUUZQWSKVMDOMY-UHFFFAOYSA-N
XLogP1.45
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-5-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonylbenzoic acid
CID 124705019
5-chloro-2-fluoro-3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid
CID 107215060
1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 77144746
(3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 98008354
2-hydroxy-5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methylbenzoic acid
CID 62943562
2-hydroxy-5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-4-methylbenzoic acid
CID 107215006
2-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 62941328
(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 66291100
(3S)-1-(5-amino-2-chlorophenyl)sulfonylpyrrolidin-3-ol
CID 94895309
3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylpyridine-4-carboxylic acid
CID 114271235
2-chloro-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzoic acid
CID 107216439
2-bromo-4-chloro-5-(4-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 20506044

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid?
The IUPAC name of 2,4-dichloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid (CID 62943175) is 2,4-dichloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid.
What is the SMILES notation for 2,4-dichloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid?
The canonical SMILES for 2,4-dichloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid is O=C(O)c1cc(S(=O)(=O)N2CCC(O)C2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid?
The InChIKey is GUUZQWSKVMDOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO5S/c12-8-4-9(13)10(3-7(8)11(16)17)20(18,19)14-2-1-6(15)5-14/h3-4,6,15H,1-2,5H2,(H,16,17).
What are the key properties of 2,4-dichloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid?
2,4-dichloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid has a molecular weight of 340.18 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid is sourced from PubChem (CID 62943175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).