4-[[4-(dimethylamino)phenyl]diazenyl]naphthalene-1-sulfonyl chloride

C18H16ClN3O2S — CID 14513518

IUPAC4-[[4-(dimethylamino)phenyl]diazenyl]naphthalene-1-sulfonyl chloride
SMILESCN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)Cl)c3ccccc23)cc1
InChIInChI=1S/C18H16ClN3O2S/c1-22(2)14-9-7-13(8-10-14)20-21-17-11-12-18(25(19,23)24)16-6-4-3-5-15(16)17/h3-12H,1-2H3/b21-20+
InChIKeyLKBPIZVUIGIODF-QZQOTICOSA-N
MW373.87 g/mol
LogP5.25
Rot. Bonds4

About 4-[[4-(dimethylamino)phenyl]diazenyl]naphthalene-1-sulfonyl chloride

4-[[4-(dimethylamino)phenyl]diazenyl]naphthalene-1-sulfonyl chloride (PubChem CID 14513518) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]diazenyl]naphthalene-1-sulfonyl chloride.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]diazenyl]naphthalene-1-sulfonyl chloride
PubChem CID14513518
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name4-[[4-(dimethylamino)phenyl]diazenyl]naphthalene-1-sulfonyl chloride
SMILESCN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)Cl)c3ccccc23)cc1
InChIInChI=1S/C18H16ClN3O2S/c1-22(2)14-9-7-13(8-10-14)20-21-17-11-12-18(25(19,23)24)16-6-4-3-5-15(16)17/h3-12H,1-2H3/b21-20+
InChIKeyLKBPIZVUIGIODF-QZQOTICOSA-N
XLogP5.25
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.87
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(dimethylamino)-2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylphenyl]diazenyl]benzenesulfonyl chloride
CID 90859043
4-[(4-chlorophenyl)diazenyl]-N,N-dimethylnaphthalen-1-amine
CID 71361497
N-ethyl-N-methyl-4-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]aniline
CID 118284525
5-(2-aminoethylamino)-4-[[4-(dimethylamino)phenyl]diazenyl]naphthalene-1-sulfonic acid
CID 155675922
4-[(4-iodophenyl)diazenyl]-N,N-dimethylnaphthalen-1-amine
CID 102032066
4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline
CID 17226
4-[(2-methoxyphenyl)diazenyl]-N,N-dimethylaniline
CID 18161
4-[[4-(dimethylamino)phenyl]diazenyl]benzene-1,2,3-triol
CID 136714423
4-[[4-[(2-chloro-4-methylphenyl)diazenyl]phenyl]diazenyl]-N,N-dimethylaniline
CID 90129084
1-acetyl-6-[[4-(dimethylamino)phenyl]diazenyl]benzo[cd]indol-2-one
CID 20788288
2-[[4-(dimethylamino)phenyl]diazenyl]-6-[(E)-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid
CID 87280472
4-[(4-hydroxy-3-propan-2-ylphenyl)diazenyl]naphthalene-1-sulfonic acid
CID 135600701

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]diazenyl]naphthalene-1-sulfonyl chloride?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]diazenyl]naphthalene-1-sulfonyl chloride (CID 14513518) is 4-[[4-(dimethylamino)phenyl]diazenyl]naphthalene-1-sulfonyl chloride.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]diazenyl]naphthalene-1-sulfonyl chloride?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]diazenyl]naphthalene-1-sulfonyl chloride is CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)Cl)c3ccccc23)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]diazenyl]naphthalene-1-sulfonyl chloride?
The InChIKey is LKBPIZVUIGIODF-QZQOTICOSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-22(2)14-9-7-13(8-10-14)20-21-17-11-12-18(25(19,23)24)16-6-4-3-5-15(16)17/h3-12H,1-2H3/b21-20+.
What are the key properties of 4-[[4-(dimethylamino)phenyl]diazenyl]naphthalene-1-sulfonyl chloride?
4-[[4-(dimethylamino)phenyl]diazenyl]naphthalene-1-sulfonyl chloride has a molecular weight of 373.87 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]diazenyl]naphthalene-1-sulfonyl chloride is sourced from PubChem (CID 14513518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).