sodium;bis(N-[8-[(4-chloro-2-hydroxy-5-methoxyphenyl)diazenyl]-7-hydroxynaphthalen-1-yl]methanesulfonamide);chromium

C36H32Cl2CrN6NaO10S2+ — CID 163360365

IUPACsodium;bis(N-[8-[(4-chloro-2-hydroxy-5-methoxyphenyl)diazenyl]-7-hydroxynaphthalen-1-yl]methanesulfonamide);chromium
SMILESCOc1cc(/N=N/c2c(O)ccc3cccc(NS(C)(=O)=O)c23)c(O)cc1Cl.COc1cc(/N=N/c2c(O)ccc3cccc(NS(C)(=O)=O)c23)c(O)cc1Cl.[Cr].[Na+]
InChIInChI=1S/2C18H16ClN3O5S.Cr.Na/c2*1-27-16-9-13(15(24)8-11(16)19)20-21-18-14(23)7-6-10-4-3-5-12(17(10)18)22-28(2,25)26;;/h2*3-9,22-24H,1-2H3;;/q;;;+1/b2*21-20+;;
InChIKeyBGTZROWVBBBIMW-XJQIYIKESA-N
MW918.71 g/mol
LogP6.40
Rot. Bonds10

About sodium;bis(N-[8-[(4-chloro-2-hydroxy-5-methoxyphenyl)diazenyl]-7-hydroxynaphthalen-1-yl]methanesulfonamide);chromium

sodium;bis(N-[8-[(4-chloro-2-hydroxy-5-methoxyphenyl)diazenyl]-7-hydroxynaphthalen-1-yl]methanesulfonamide);chromium (PubChem CID 163360365) has the molecular formula C36H32Cl2CrN6NaO10S2+ and a molecular weight of 918.71 g/mol. Its IUPAC name is sodium;bis(N-[8-[(4-chloro-2-hydroxy-5-methoxyphenyl)diazenyl]-7-hydroxynaphthalen-1-yl]methanesulfonamide);chromium.

Molecular Properties

Compound Namesodium;bis(N-[8-[(4-chloro-2-hydroxy-5-methoxyphenyl)diazenyl]-7-hydroxynaphthalen-1-yl]methanesulfonamide);chromium
PubChem CID163360365
Molecular FormulaC36H32Cl2CrN6NaO10S2+
Molecular Weight918.71 g/mol
Exact Mass917.03
IUPAC Namesodium;bis(N-[8-[(4-chloro-2-hydroxy-5-methoxyphenyl)diazenyl]-7-hydroxynaphthalen-1-yl]methanesulfonamide);chromium
SMILESCOc1cc(/N=N/c2c(O)ccc3cccc(NS(C)(=O)=O)c23)c(O)cc1Cl.COc1cc(/N=N/c2c(O)ccc3cccc(NS(C)(=O)=O)c23)c(O)cc1Cl.[Cr].[Na+]
InChIInChI=1S/2C18H16ClN3O5S.Cr.Na/c2*1-27-16-9-13(15(24)8-11(16)19)20-21-18-14(23)7-6-10-4-3-5-12(17(10)18)22-28(2,25)26;;/h2*3-9,22-24H,1-2H3;;/q;;;+1/b2*21-20+;;
InChIKeyBGTZROWVBBBIMW-XJQIYIKESA-N
XLogP6.40
TPSA241.16 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500918.71
LogP ≤ 56.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

sodium;chromium;4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]methanesulfonamide
CID 170840846
chromium;hydron;bis(methyl N-[7-hydroxy-8-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]carbamate)
CID 163360241
[7-hydroxy-8-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]naphthalen-1-yl] N-methylcarbamate
CID 3022818
2-[3-[(8-acetamido-2-hydroxynaphthalen-1-yl)diazenyl]-4-hydroxyphenyl]sulfonylethyl hydrogen sulfate
CID 3022856
sodium;chromium(3+);2-[[2-hydroxy-8-(methoxycarbonylamino)naphthalen-1-yl]diazenyl]-4-methylsulfonylphenolate;1-methoxy-N-[8-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]-7-oxidonaphthalen-1-yl]methanimidate
CID 170840375
4-hydroxy-5-(methanesulfonamido)naphthalene-2-sulfonic acid
CID 71330282
sodium 6-hydroxy-5-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid
CID 135421994
N-[3-(4-hydroxy-3-methoxyphenyl)phenyl]methanesulfonamide
CID 53221096
sodium;bis(8-amino-1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol);chromium
CID 170844440
2-chloro-3-[[3-[(2-chloro-3-methoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-6-methylbenzenesulfonic acid
CID 136854917
disodium;chromium(3+);3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate;N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]acetamide
CID 156599340
3-[(8-amino-2-hydroxynaphthalen-1-yl)diazenyl]-5-chloro-2-hydroxybenzenesulfonic acid
CID 3023880

Frequently Asked Questions

What is the IUPAC name of sodium;bis(N-[8-[(4-chloro-2-hydroxy-5-methoxyphenyl)diazenyl]-7-hydroxynaphthalen-1-yl]methanesulfonamide);chromium?
The IUPAC name of sodium;bis(N-[8-[(4-chloro-2-hydroxy-5-methoxyphenyl)diazenyl]-7-hydroxynaphthalen-1-yl]methanesulfonamide);chromium (CID 163360365) is sodium;bis(N-[8-[(4-chloro-2-hydroxy-5-methoxyphenyl)diazenyl]-7-hydroxynaphthalen-1-yl]methanesulfonamide);chromium.
What is the SMILES notation for sodium;bis(N-[8-[(4-chloro-2-hydroxy-5-methoxyphenyl)diazenyl]-7-hydroxynaphthalen-1-yl]methanesulfonamide);chromium?
The canonical SMILES for sodium;bis(N-[8-[(4-chloro-2-hydroxy-5-methoxyphenyl)diazenyl]-7-hydroxynaphthalen-1-yl]methanesulfonamide);chromium is COc1cc(/N=N/c2c(O)ccc3cccc(NS(C)(=O)=O)c23)c(O)cc1Cl.COc1cc(/N=N/c2c(O)ccc3cccc(NS(C)(=O)=O)c23)c(O)cc1Cl.[Cr].[Na+].
What is the InChIKey of sodium;bis(N-[8-[(4-chloro-2-hydroxy-5-methoxyphenyl)diazenyl]-7-hydroxynaphthalen-1-yl]methanesulfonamide);chromium?
The InChIKey is BGTZROWVBBBIMW-XJQIYIKESA-N. The full InChI is InChI=1S/2C18H16ClN3O5S.Cr.Na/c2*1-27-16-9-13(15(24)8-11(16)19)20-21-18-14(23)7-6-10-4-3-5-12(17(10)18)22-28(2,25)26;;/h2*3-9,22-24H,1-2H3;;/q;;;+1/b2*21-20+;;.
What are the key properties of sodium;bis(N-[8-[(4-chloro-2-hydroxy-5-methoxyphenyl)diazenyl]-7-hydroxynaphthalen-1-yl]methanesulfonamide);chromium?
sodium;bis(N-[8-[(4-chloro-2-hydroxy-5-methoxyphenyl)diazenyl]-7-hydroxynaphthalen-1-yl]methanesulfonamide);chromium has a molecular weight of 918.71 g/mol, XLogP of 6.40, 10 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;bis(N-[8-[(4-chloro-2-hydroxy-5-methoxyphenyl)diazenyl]-7-hydroxynaphthalen-1-yl]methanesulfonamide);chromium is sourced from PubChem (CID 163360365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).