N-[5-hydroxy-8-[(2-methyl-4-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]benzenesulfonamide

C24H21N3O5S2 — CID 158582080

IUPACN-[5-hydroxy-8-[(2-methyl-4-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]benzenesulfonamide
SMILESCc1cc(S(C)(=O)=O)ccc1/N=N/c1ccc(O)c2cccc(NS(=O)(=O)c3ccccc3)c12
InChIInChI=1S/C24H21N3O5S2/c1-16-15-18(33(2,29)30)11-12-20(16)25-26-21-13-14-23(28)19-9-6-10-22(24(19)21)27-34(31,32)17-7-4-3-5-8-17/h3-15,27-28H,1-2H3/b26-25+
InChIKeyHTJJIDUPPFCCKE-OCEACIFDSA-N
MW495.58 g/mol
LogP5.47
Rot. Bonds6

About N-[5-hydroxy-8-[(2-methyl-4-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]benzenesulfonamide

N-[5-hydroxy-8-[(2-methyl-4-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]benzenesulfonamide (PubChem CID 158582080) has the molecular formula C24H21N3O5S2 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[5-hydroxy-8-[(2-methyl-4-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-hydroxy-8-[(2-methyl-4-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]benzenesulfonamide
PubChem CID158582080
Molecular FormulaC24H21N3O5S2
Molecular Weight495.58 g/mol
Exact Mass495.09
IUPAC NameN-[5-hydroxy-8-[(2-methyl-4-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]benzenesulfonamide
SMILESCc1cc(S(C)(=O)=O)ccc1/N=N/c1ccc(O)c2cccc(NS(=O)(=O)c3ccccc3)c12
InChIInChI=1S/C24H21N3O5S2/c1-16-15-18(33(2,29)30)11-12-20(16)25-26-21-13-14-23(28)19-9-6-10-22(24(19)21)27-34(31,32)17-7-4-3-5-8-17/h3-15,27-28H,1-2H3/b26-25+
InChIKeyHTJJIDUPPFCCKE-OCEACIFDSA-N
XLogP5.47
TPSA125.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.58
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

3-[[8-[[2,4-bis(methylsulfonyl)phenyl]diazenyl]-5-hydroxynaphthalen-1-yl]sulfamoyl]benzenesulfonic acid
CID 135675134
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
4-hydroxy-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 25065487
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
CID 102274853
4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylbenzenesulfonic acid
CID 22117
N-[4-hydroxy-3-(4-hydroxy-3-methylphenyl)naphthalen-1-yl]benzenesulfonamide
CID 21205833
N-(4-amino-2,5-dimethylphenyl)benzenesulfonamide
CID 827506
N-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide
CID 518129
N-(3-bromo-4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide
CID 1186102
N-[2-(methanesulfonamido)phenyl]-4-methylsulfonylbenzenesulfonamide
CID 43069384
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
N-(2-hydroxy-5-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 60918497

Frequently Asked Questions

What is the IUPAC name of N-[5-hydroxy-8-[(2-methyl-4-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]benzenesulfonamide?
The IUPAC name of N-[5-hydroxy-8-[(2-methyl-4-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]benzenesulfonamide (CID 158582080) is N-[5-hydroxy-8-[(2-methyl-4-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-hydroxy-8-[(2-methyl-4-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]benzenesulfonamide?
The canonical SMILES for N-[5-hydroxy-8-[(2-methyl-4-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]benzenesulfonamide is Cc1cc(S(C)(=O)=O)ccc1/N=N/c1ccc(O)c2cccc(NS(=O)(=O)c3ccccc3)c12.
What is the InChIKey of N-[5-hydroxy-8-[(2-methyl-4-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]benzenesulfonamide?
The InChIKey is HTJJIDUPPFCCKE-OCEACIFDSA-N. The full InChI is InChI=1S/C24H21N3O5S2/c1-16-15-18(33(2,29)30)11-12-20(16)25-26-21-13-14-23(28)19-9-6-10-22(24(19)21)27-34(31,32)17-7-4-3-5-8-17/h3-15,27-28H,1-2H3/b26-25+.
What are the key properties of N-[5-hydroxy-8-[(2-methyl-4-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]benzenesulfonamide?
N-[5-hydroxy-8-[(2-methyl-4-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]benzenesulfonamide has a molecular weight of 495.58 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-hydroxy-8-[(2-methyl-4-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]benzenesulfonamide is sourced from PubChem (CID 158582080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).