CID 68977008

C14H12ClNNaO4S2 — CID 68977008

IUPAC—
SMILESCOc1cc(Cl)ccc1C(=O)NS(=O)(=O)/C=C/c1cccs1.[Na]
InChIInChI=1S/C14H12ClNO4S2.Na/c1-20-13-9-10(15)4-5-12(13)14(17)16-22(18,19)8-6-11-3-2-7-21-11;/h2-9H,1H3,(H,16,17);/b8-6+;
InChIKeyVILSJDPLAZPBRY-WVLIHFOGSA-N
MW380.83 g/mol
LogP2.76
Rot. Bonds5

About CID 68977008

CID 68977008 (PubChem CID 68977008) has the molecular formula C14H12ClNNaO4S2 and a molecular weight of 380.83 g/mol.

Molecular Properties

Compound NameCID 68977008
PubChem CID68977008
Molecular FormulaC14H12ClNNaO4S2
Molecular Weight380.83 g/mol
Exact Mass379.98
IUPAC Name—
SMILESCOc1cc(Cl)ccc1C(=O)NS(=O)(=O)/C=C/c1cccs1.[Na]
InChIInChI=1S/C14H12ClNO4S2.Na/c1-20-13-9-10(15)4-5-12(13)14(17)16-22(18,19)8-6-11-3-2-7-21-11;/h2-9H,1H3,(H,16,17);/b8-6+;
InChIKeyVILSJDPLAZPBRY-WVLIHFOGSA-N
XLogP2.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 68977008?
The IUPAC name of CID 68977008 (CID 68977008) is not available.
What is the SMILES notation for CID 68977008?
The canonical SMILES for CID 68977008 is COc1cc(Cl)ccc1C(=O)NS(=O)(=O)/C=C/c1cccs1.[Na].
What is the InChIKey of CID 68977008?
The InChIKey is VILSJDPLAZPBRY-WVLIHFOGSA-N. The full InChI is InChI=1S/C14H12ClNO4S2.Na/c1-20-13-9-10(15)4-5-12(13)14(17)16-22(18,19)8-6-11-3-2-7-21-11;/h2-9H,1H3,(H,16,17);/b8-6+;.
What are the key properties of CID 68977008?
CID 68977008 has a molecular weight of 380.83 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68977008 is sourced from PubChem (CID 68977008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).