cobalt(2+);bis(naphthalen-1-ylsulfonyl(pyridin-2-ylmethyl)azanide)

C32H26CoN4O4S2 — CID 139174844

IUPACcobalt(2+);bis(naphthalen-1-ylsulfonyl(pyridin-2-ylmethyl)azanide)
SMILESO=S(=O)([N-]Cc1ccccn1)c1cccc2ccccc12.O=S(=O)([N-]Cc1ccccn1)c1cccc2ccccc12.[Co+2]
InChIInChI=1S/2C16H13N2O2S.Co/c2*19-21(20,18-12-14-8-3-4-11-17-14)16-10-5-7-13-6-1-2-9-15(13)16;/h2*1-11H,12H2;/q2*-1;+2
InChIKeyRVBHPFAMVXNBFM-UHFFFAOYSA-N
MW653.65 g/mol
LogP6.99
Rot. Bonds8

About cobalt(2+);bis(naphthalen-1-ylsulfonyl(pyridin-2-ylmethyl)azanide)

cobalt(2+);bis(naphthalen-1-ylsulfonyl(pyridin-2-ylmethyl)azanide) (PubChem CID 139174844) has the molecular formula C32H26CoN4O4S2 and a molecular weight of 653.65 g/mol. Its IUPAC name is cobalt(2+);bis(naphthalen-1-ylsulfonyl(pyridin-2-ylmethyl)azanide).

Molecular Properties

Compound Namecobalt(2+);bis(naphthalen-1-ylsulfonyl(pyridin-2-ylmethyl)azanide)
PubChem CID139174844
Molecular FormulaC32H26CoN4O4S2
Molecular Weight653.65 g/mol
Exact Mass653.07
IUPAC Namecobalt(2+);bis(naphthalen-1-ylsulfonyl(pyridin-2-ylmethyl)azanide)
SMILESO=S(=O)([N-]Cc1ccccn1)c1cccc2ccccc12.O=S(=O)([N-]Cc1ccccn1)c1cccc2ccccc12.[Co+2]
InChIInChI=1S/2C16H13N2O2S.Co/c2*19-21(20,18-12-14-8-3-4-11-17-14)16-10-5-7-13-6-1-2-9-15(13)16;/h2*1-11H,12H2;/q2*-1;+2
InChIKeyRVBHPFAMVXNBFM-UHFFFAOYSA-N
XLogP6.99
TPSA122.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.65
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(naphthalen-1-ylsulfonyl(pyridin-2-ylmethyl)azanide)?
The IUPAC name of cobalt(2+);bis(naphthalen-1-ylsulfonyl(pyridin-2-ylmethyl)azanide) (CID 139174844) is cobalt(2+);bis(naphthalen-1-ylsulfonyl(pyridin-2-ylmethyl)azanide).
What is the SMILES notation for cobalt(2+);bis(naphthalen-1-ylsulfonyl(pyridin-2-ylmethyl)azanide)?
The canonical SMILES for cobalt(2+);bis(naphthalen-1-ylsulfonyl(pyridin-2-ylmethyl)azanide) is O=S(=O)([N-]Cc1ccccn1)c1cccc2ccccc12.O=S(=O)([N-]Cc1ccccn1)c1cccc2ccccc12.[Co+2].
What is the InChIKey of cobalt(2+);bis(naphthalen-1-ylsulfonyl(pyridin-2-ylmethyl)azanide)?
The InChIKey is RVBHPFAMVXNBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H13N2O2S.Co/c2*19-21(20,18-12-14-8-3-4-11-17-14)16-10-5-7-13-6-1-2-9-15(13)16;/h2*1-11H,12H2;/q2*-1;+2.
What are the key properties of cobalt(2+);bis(naphthalen-1-ylsulfonyl(pyridin-2-ylmethyl)azanide)?
cobalt(2+);bis(naphthalen-1-ylsulfonyl(pyridin-2-ylmethyl)azanide) has a molecular weight of 653.65 g/mol, XLogP of 6.99, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(naphthalen-1-ylsulfonyl(pyridin-2-ylmethyl)azanide) is sourced from PubChem (CID 139174844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).