2-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]acetic acid

C11H11Cl2NO4S — CID 64618221

IUPAC2-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C11H11Cl2NO4S/c12-9-2-1-8(4-10(9)13)19(17,18)14-5-7(6-14)3-11(15)16/h1-2,4,7H,3,5-6H2,(H,15,16)
InChIKeyTWMBWYYPNCIJGN-UHFFFAOYSA-N
MW324.19 g/mol
LogP2.09
Rot. Bonds4

About 2-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]acetic acid

2-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]acetic acid (PubChem CID 64618221) has the molecular formula C11H11Cl2NO4S and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]acetic acid
PubChem CID64618221
Molecular FormulaC11H11Cl2NO4S
Molecular Weight324.19 g/mol
Exact Mass322.98
IUPAC Name2-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C11H11Cl2NO4S/c12-9-2-1-8(4-10(9)13)19(17,18)14-5-7(6-14)3-11(15)16/h1-2,4,7H,3,5-6H2,(H,15,16)
InChIKeyTWMBWYYPNCIJGN-UHFFFAOYSA-N
XLogP2.09
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-methylphenyl)sulfonylazetidin-3-yl]acetic acid
CID 64618229
2-[1-(3-fluoro-4-nitrophenyl)sulfonylazetidin-3-yl]acetic acid
CID 82846592
2-[1-[(5-bromo-3-pyridinyl)sulfonyl]azetidin-3-yl]acetic acid
CID 64617835
2-[1-(4-methoxycarbonylphenyl)sulfonylazetidin-3-yl]acetic acid
CID 64616409
N-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990721
3-(bromomethyl)-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 80676262
2-[1-[(3,4-dichlorophenyl)methyl]azetidin-3-yl]acetic acid
CID 64617121
3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 63397150
2-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonylbenzoic acid
CID 79188651
1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine
CID 110869927
N-(cyclopropylmethyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide
CID 55543692
2-[1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]acetic acid
CID 106703051

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]acetic acid (CID 64618221) is 2-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]acetic acid is O=C(O)CC1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 2-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]acetic acid?
The InChIKey is TWMBWYYPNCIJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO4S/c12-9-2-1-8(4-10(9)13)19(17,18)14-5-7(6-14)3-11(15)16/h1-2,4,7H,3,5-6H2,(H,15,16).
What are the key properties of 2-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]acetic acid?
2-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]acetic acid has a molecular weight of 324.19 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]acetic acid is sourced from PubChem (CID 64618221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).