(3R,4R)-4-(2,4-dichloroanilino)-1,1-dioxothiolan-3-ol

C10H11Cl2NO3S — CID 129365592

IUPAC(3R,4R)-4-(2,4-dichloroanilino)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)C[C@H](Nc2ccc(Cl)cc2Cl)[C@@H](O)C1
InChIInChI=1S/C10H11Cl2NO3S/c11-6-1-2-8(7(12)3-6)13-9-4-17(15,16)5-10(9)14/h1-3,9-10,13-14H,4-5H2/t9-,10-/m0/s1
InChIKeyIRDNHQZIEZNBID-UWVGGRQHSA-N
MW296.18 g/mol
LogP1.56
Rot. Bonds2

About (3R,4R)-4-(2,4-dichloroanilino)-1,1-dioxothiolan-3-ol

(3R,4R)-4-(2,4-dichloroanilino)-1,1-dioxothiolan-3-ol (PubChem CID 129365592) has the molecular formula C10H11Cl2NO3S and a molecular weight of 296.18 g/mol. Its IUPAC name is (3R,4R)-4-(2,4-dichloroanilino)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(2,4-dichloroanilino)-1,1-dioxothiolan-3-ol
PubChem CID129365592
Molecular FormulaC10H11Cl2NO3S
Molecular Weight296.18 g/mol
Exact Mass294.98
IUPAC Name(3R,4R)-4-(2,4-dichloroanilino)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)C[C@H](Nc2ccc(Cl)cc2Cl)[C@@H](O)C1
InChIInChI=1S/C10H11Cl2NO3S/c11-6-1-2-8(7(12)3-6)13-9-4-17(15,16)5-10(9)14/h1-3,9-10,13-14H,4-5H2/t9-,10-/m0/s1
InChIKeyIRDNHQZIEZNBID-UWVGGRQHSA-N
XLogP1.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-4-(2-chloroanilino)-1,1-dioxothiolan-3-ol
CID 2435929
4-(5-bromo-2-chloroanilino)-1,1-dioxothiolan-3-ol
CID 62913766
4-[1-(2,4-dichlorophenyl)ethylamino]-1,1-dioxothiolan-3-ol
CID 60665717
4-(2,6-dichloro-4-fluoroanilino)-1,1-dioxothiolan-3-ol
CID 83079482
4-(4-bromo-2-fluoroanilino)-1,1-dioxothiolan-3-ol
CID 60885079
N-(2,5-dichlorophenyl)-2-[2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]ethylamino]acetamide
CID 164663413
4-(2-hydroxyanilino)-1,1-dioxothiolan-3-ol
CID 3635149
4-(2-bromo-4-methylanilino)-1,1-dioxothiolan-3-ol
CID 60884246
4-(2-bromoanilino)-1,1-dioxothiolan-3-ol
CID 21238967
2,4-dichloro-N-[(3S,4R)-4-chloro-1,1-dioxothiolan-3-yl]benzamide
CID 7300612
4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol
CID 114259861
4-[1-(4-chlorophenyl)ethylamino]-1,1-dioxothiolan-3-ol
CID 60666002

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(2,4-dichloroanilino)-1,1-dioxothiolan-3-ol?
The IUPAC name of (3R,4R)-4-(2,4-dichloroanilino)-1,1-dioxothiolan-3-ol (CID 129365592) is (3R,4R)-4-(2,4-dichloroanilino)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for (3R,4R)-4-(2,4-dichloroanilino)-1,1-dioxothiolan-3-ol?
The canonical SMILES for (3R,4R)-4-(2,4-dichloroanilino)-1,1-dioxothiolan-3-ol is O=S1(=O)C[C@H](Nc2ccc(Cl)cc2Cl)[C@@H](O)C1.
What is the InChIKey of (3R,4R)-4-(2,4-dichloroanilino)-1,1-dioxothiolan-3-ol?
The InChIKey is IRDNHQZIEZNBID-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H11Cl2NO3S/c11-6-1-2-8(7(12)3-6)13-9-4-17(15,16)5-10(9)14/h1-3,9-10,13-14H,4-5H2/t9-,10-/m0/s1.
What are the key properties of (3R,4R)-4-(2,4-dichloroanilino)-1,1-dioxothiolan-3-ol?
(3R,4R)-4-(2,4-dichloroanilino)-1,1-dioxothiolan-3-ol has a molecular weight of 296.18 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(2,4-dichloroanilino)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 129365592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).