2-[[bis(3-chlorophenyl)-oxo-λ6-sulfanylidene]amino]acetic acid

C14H11Cl2NO3S — CID 155190385

IUPAC2-[[bis(3-chlorophenyl)-oxo-λ6-sulfanylidene]amino]acetic acid
SMILESO=C(O)CN=S(=O)(c1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H11Cl2NO3S/c15-10-3-1-5-12(7-10)21(20,17-9-14(18)19)13-6-2-4-11(16)8-13/h1-8H,9H2,(H,18,19)
InChIKeyKDKRVUZOCUMGOI-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.96
Rot. Bonds4

About 2-[[bis(3-chlorophenyl)-oxo-λ6-sulfanylidene]amino]acetic acid

2-[[bis(3-chlorophenyl)-oxo-λ6-sulfanylidene]amino]acetic acid (PubChem CID 155190385) has the molecular formula C14H11Cl2NO3S and a molecular weight of 344.22 g/mol. Its IUPAC name is 2-[[bis(3-chlorophenyl)-oxo-λ6-sulfanylidene]amino]acetic acid.

Molecular Properties

Compound Name2-[[bis(3-chlorophenyl)-oxo-λ6-sulfanylidene]amino]acetic acid
PubChem CID155190385
Molecular FormulaC14H11Cl2NO3S
Molecular Weight344.22 g/mol
Exact Mass342.98
IUPAC Name2-[[bis(3-chlorophenyl)-oxo-λ6-sulfanylidene]amino]acetic acid
SMILESO=C(O)CN=S(=O)(c1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H11Cl2NO3S/c15-10-3-1-5-12(7-10)21(20,17-9-14(18)19)13-6-2-4-11(16)8-13/h1-8H,9H2,(H,18,19)
InChIKeyKDKRVUZOCUMGOI-UHFFFAOYSA-N
XLogP3.96
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis(3-chlorophenyl)-oxo-λ6-sulfanylidene]amino]acetic acid?
The IUPAC name of 2-[[bis(3-chlorophenyl)-oxo-λ6-sulfanylidene]amino]acetic acid (CID 155190385) is 2-[[bis(3-chlorophenyl)-oxo-λ6-sulfanylidene]amino]acetic acid.
What is the SMILES notation for 2-[[bis(3-chlorophenyl)-oxo-λ6-sulfanylidene]amino]acetic acid?
The canonical SMILES for 2-[[bis(3-chlorophenyl)-oxo-λ6-sulfanylidene]amino]acetic acid is O=C(O)CN=S(=O)(c1cccc(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of 2-[[bis(3-chlorophenyl)-oxo-λ6-sulfanylidene]amino]acetic acid?
The InChIKey is KDKRVUZOCUMGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3S/c15-10-3-1-5-12(7-10)21(20,17-9-14(18)19)13-6-2-4-11(16)8-13/h1-8H,9H2,(H,18,19).
What are the key properties of 2-[[bis(3-chlorophenyl)-oxo-λ6-sulfanylidene]amino]acetic acid?
2-[[bis(3-chlorophenyl)-oxo-λ6-sulfanylidene]amino]acetic acid has a molecular weight of 344.22 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(3-chlorophenyl)-oxo-λ6-sulfanylidene]amino]acetic acid is sourced from PubChem (CID 155190385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).