4-[[4-(dimethylamino)-2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylphenyl]diazenyl]benzenesulfonyl chloride

C28H27ClN6O4S2 — CID 90859043

IUPAC4-[[4-(dimethylamino)-2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylphenyl]diazenyl]benzenesulfonyl chloride
SMILESCN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)c3cc(N(C)C)ccc3/N=N/c3ccc(S(=O)(=O)Cl)cc3)cc2)cc1
InChIInChI=1S/C28H27ClN6O4S2/c1-34(2)23-11-5-20(6-12-23)30-31-21-7-14-25(15-8-21)40(36,37)28-19-24(35(3)4)13-18-27(28)33-32-22-9-16-26(17-10-22)41(29,38)39/h5-19H,1-4H3/b31-30+,33-32+
InChIKeyABRYGKSIKBAGPS-CJQWSLHQSA-N
MW611.15 g/mol
LogP7.41
Rot. Bonds9

About 4-[[4-(dimethylamino)-2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylphenyl]diazenyl]benzenesulfonyl chloride

4-[[4-(dimethylamino)-2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylphenyl]diazenyl]benzenesulfonyl chloride (PubChem CID 90859043) has the molecular formula C28H27ClN6O4S2 and a molecular weight of 611.15 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)-2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylphenyl]diazenyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[[4-(dimethylamino)-2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylphenyl]diazenyl]benzenesulfonyl chloride
PubChem CID90859043
Molecular FormulaC28H27ClN6O4S2
Molecular Weight611.15 g/mol
Exact Mass610.12
IUPAC Name4-[[4-(dimethylamino)-2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylphenyl]diazenyl]benzenesulfonyl chloride
SMILESCN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)c3cc(N(C)C)ccc3/N=N/c3ccc(S(=O)(=O)Cl)cc3)cc2)cc1
InChIInChI=1S/C28H27ClN6O4S2/c1-34(2)23-11-5-20(6-12-23)30-31-21-7-14-25(15-8-21)40(36,37)28-19-24(35(3)4)13-18-27(28)33-32-22-9-16-26(17-10-22)41(29,38)39/h5-19H,1-4H3/b31-30+,33-32+
InChIKeyABRYGKSIKBAGPS-CJQWSLHQSA-N
XLogP7.41
TPSA124.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.15
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)-2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylphenyl]diazenyl]benzenesulfonyl chloride?
The IUPAC name of 4-[[4-(dimethylamino)-2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylphenyl]diazenyl]benzenesulfonyl chloride (CID 90859043) is 4-[[4-(dimethylamino)-2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylphenyl]diazenyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[[4-(dimethylamino)-2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylphenyl]diazenyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[[4-(dimethylamino)-2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylphenyl]diazenyl]benzenesulfonyl chloride is CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)c3cc(N(C)C)ccc3/N=N/c3ccc(S(=O)(=O)Cl)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)-2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylphenyl]diazenyl]benzenesulfonyl chloride?
The InChIKey is ABRYGKSIKBAGPS-CJQWSLHQSA-N. The full InChI is InChI=1S/C28H27ClN6O4S2/c1-34(2)23-11-5-20(6-12-23)30-31-21-7-14-25(15-8-21)40(36,37)28-19-24(35(3)4)13-18-27(28)33-32-22-9-16-26(17-10-22)41(29,38)39/h5-19H,1-4H3/b31-30+,33-32+.
What are the key properties of 4-[[4-(dimethylamino)-2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylphenyl]diazenyl]benzenesulfonyl chloride?
4-[[4-(dimethylamino)-2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylphenyl]diazenyl]benzenesulfonyl chloride has a molecular weight of 611.15 g/mol, XLogP of 7.41, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)-2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylphenyl]diazenyl]benzenesulfonyl chloride is sourced from PubChem (CID 90859043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).