2-(benzenesulfonyl)-21,22-dihydroporphyrin;manganese

C26H18MnN4O2S — CID 175023826

IUPAC2-(benzenesulfonyl)-21,22-dihydroporphyrin;manganese
SMILESO=S(=O)(c1ccccc1)c1cc2cc3ccc(cc4nc(cc5nc(cc1[nH]2)C=C5)C=C4)[nH]3.[Mn]
InChIInChI=1S/C26H18N4O2S.Mn/c31-33(32,24-4-2-1-3-5-24)26-16-23-14-21-9-8-19(28-21)12-17-6-7-18(27-17)13-20-10-11-22(29-20)15-25(26)30-23;/h1-16,28,30H;/b17-12-,18-13-,19-12-,20-13-,21-14-,22-15-,23-14-,25-15-;
InChIKeySARPOAJBNQBMHH-LNUQMWHKSA-N
MW505.46 g/mol
LogP5.49
Rot. Bonds2

About 2-(benzenesulfonyl)-21,22-dihydroporphyrin;manganese

2-(benzenesulfonyl)-21,22-dihydroporphyrin;manganese (PubChem CID 175023826) has the molecular formula C26H18MnN4O2S and a molecular weight of 505.46 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-21,22-dihydroporphyrin;manganese.

Molecular Properties

Compound Name2-(benzenesulfonyl)-21,22-dihydroporphyrin;manganese
PubChem CID175023826
Molecular FormulaC26H18MnN4O2S
Molecular Weight505.46 g/mol
Exact Mass505.05
IUPAC Name2-(benzenesulfonyl)-21,22-dihydroporphyrin;manganese
SMILESO=S(=O)(c1ccccc1)c1cc2cc3ccc(cc4nc(cc5nc(cc1[nH]2)C=C5)C=C4)[nH]3.[Mn]
InChIInChI=1S/C26H18N4O2S.Mn/c31-33(32,24-4-2-1-3-5-24)26-16-23-14-21-9-8-19(28-21)12-17-6-7-18(27-17)13-20-10-11-22(29-20)15-25(26)30-23;/h1-16,28,30H;/b17-12-,18-13-,19-12-,20-13-,21-14-,22-15-,23-14-,25-15-;
InChIKeySARPOAJBNQBMHH-LNUQMWHKSA-N
XLogP5.49
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.46
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzene;21,22-dihydroporphyrin-2-sulfonic acid;zinc
CID 88803007
2-(21,22-dihydroporphyrin-2-yl)benzenesulfonic acid
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benzene;21,22-dihydroporphyrin;nickel;hydrate
CID 174957949
2-(21,22-dihydroporphyrin-2-yl)benzenesulfonic acid;iron
CID 175585042
argon;2-phenyl-21,22-dihydroporphyrin
CID 174855611
7,8-diphenyl-21,24-dihydroporphyrin-2-sulfonic acid
CID 88767727
zinc 21,22-dihydroporphyrin
CID 21123910
CID 175757831
CID 175757831
21,22-dihydroporphyrin;phenol
CID 162242849
21,22-dihydroporphyrin;methanone;ruthenium(1+)
CID 175593916
21,22-dihydroporphyrin;stilbene
CID 159218898
azane;21,22-dihydroporphyrin;zinc
CID 175189190

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-21,22-dihydroporphyrin;manganese?
The IUPAC name of 2-(benzenesulfonyl)-21,22-dihydroporphyrin;manganese (CID 175023826) is 2-(benzenesulfonyl)-21,22-dihydroporphyrin;manganese.
What is the SMILES notation for 2-(benzenesulfonyl)-21,22-dihydroporphyrin;manganese?
The canonical SMILES for 2-(benzenesulfonyl)-21,22-dihydroporphyrin;manganese is O=S(=O)(c1ccccc1)c1cc2cc3ccc(cc4nc(cc5nc(cc1[nH]2)C=C5)C=C4)[nH]3.[Mn].
What is the InChIKey of 2-(benzenesulfonyl)-21,22-dihydroporphyrin;manganese?
The InChIKey is SARPOAJBNQBMHH-LNUQMWHKSA-N. The full InChI is InChI=1S/C26H18N4O2S.Mn/c31-33(32,24-4-2-1-3-5-24)26-16-23-14-21-9-8-19(28-21)12-17-6-7-18(27-17)13-20-10-11-22(29-20)15-25(26)30-23;/h1-16,28,30H;/b17-12-,18-13-,19-12-,20-13-,21-14-,22-15-,23-14-,25-15-;.
What are the key properties of 2-(benzenesulfonyl)-21,22-dihydroporphyrin;manganese?
2-(benzenesulfonyl)-21,22-dihydroporphyrin;manganese has a molecular weight of 505.46 g/mol, XLogP of 5.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-21,22-dihydroporphyrin;manganese is sourced from PubChem (CID 175023826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).