disodium;anilinomethanesulfonate;4-[(4-butylphenyl)diazenyl]aniline;4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]aniline;[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]anilino]methanesulfonate;(4-butylphenyl)-[4-[(4-propylphenyl)diazenyl]phenyl]diazene

C93H102N18Na2O6S2 — CID 162056695

IUPACdisodium;anilinomethanesulfonate;4-[(4-butylphenyl)diazenyl]aniline;4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]aniline;[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]anilino]methanesulfonate;(4-butylphenyl)-[4-[(4-propylphenyl)diazenyl]phenyl]diazene
SMILESCCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(CCC)cc3)cc2)cc1.CCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(N)cc3)cc2)cc1.CCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(NCS(=O)(=O)[O-])cc3)cc2)cc1.CCCCc1ccc(/N=N/c2ccc(N)cc2)cc1.O=S(=O)([O-])CNc1ccccc1.[Na+].[Na+]
InChIInChI=1S/C25H28N4.C23H25N5O3S.C22H23N5.C16H19N3.C7H9NO3S.2Na/c1-3-5-7-21-10-14-23(15-11-21)27-29-25-18-16-24(17-19-25)28-26-22-12-8-20(6-4-2)9-13-22;1-2-3-4-18-5-7-20(8-6-18)25-27-22-13-15-23(16-14-22)28-26-21-11-9-19(10-12-21)24-17-32(29,30)31;1-2-3-4-17-5-9-19(10-6-17)24-26-21-13-15-22(16-14-21)27-25-20-11-7-18(23)8-12-20;1-2-3-4-13-5-9-15(10-6-13)18-19-16-11-7-14(17)8-12-16;9-12(10,11)6-8-7-4-2-1-3-5-7;;/h8-19H,3-7H2,1-2H3;5-16,24H,2-4,17H2,1H3,(H,29,30,31);5-16H,2-4,23H2,1H3;5-12H,2-4,17H2,1H3;1-5,8H,6H2,(H,9,10,11);;/q;;;;;2*+1/p-2/b28-26+,29-27+;27-25+,28-26+;26-24+,27-25+;19-18+;;;
InChIKeyYZGYQMVAUWPHPG-XMFVTRRQSA-L
MW1678.07 g/mol
LogP22.67
Rot. Bonds34

About disodium;anilinomethanesulfonate;4-[(4-butylphenyl)diazenyl]aniline;4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]aniline;[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]anilino]methanesulfonate;(4-butylphenyl)-[4-[(4-propylphenyl)diazenyl]phenyl]diazene

disodium;anilinomethanesulfonate;4-[(4-butylphenyl)diazenyl]aniline;4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]aniline;[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]anilino]methanesulfonate;(4-butylphenyl)-[4-[(4-propylphenyl)diazenyl]phenyl]diazene (PubChem CID 162056695) has the molecular formula C93H102N18Na2O6S2 and a molecular weight of 1678.07 g/mol. Its IUPAC name is disodium;anilinomethanesulfonate;4-[(4-butylphenyl)diazenyl]aniline;4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]aniline;[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]anilino]methanesulfonate;(4-butylphenyl)-[4-[(4-propylphenyl)diazenyl]phenyl]diazene.

Molecular Properties

Compound Namedisodium;anilinomethanesulfonate;4-[(4-butylphenyl)diazenyl]aniline;4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]aniline;[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]anilino]methanesulfonate;(4-butylphenyl)-[4-[(4-propylphenyl)diazenyl]phenyl]diazene
PubChem CID162056695
Molecular FormulaC93H102N18Na2O6S2
Molecular Weight1678.07 g/mol
Exact Mass1676.75
IUPAC Namedisodium;anilinomethanesulfonate;4-[(4-butylphenyl)diazenyl]aniline;4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]aniline;[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]anilino]methanesulfonate;(4-butylphenyl)-[4-[(4-propylphenyl)diazenyl]phenyl]diazene
SMILESCCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(CCC)cc3)cc2)cc1.CCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(N)cc3)cc2)cc1.CCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(NCS(=O)(=O)[O-])cc3)cc2)cc1.CCCCc1ccc(/N=N/c2ccc(N)cc2)cc1.O=S(=O)([O-])CNc1ccccc1.[Na+].[Na+]
InChIInChI=1S/C25H28N4.C23H25N5O3S.C22H23N5.C16H19N3.C7H9NO3S.2Na/c1-3-5-7-21-10-14-23(15-11-21)27-29-25-18-16-24(17-19-25)28-26-22-12-8-20(6-4-2)9-13-22;1-2-3-4-18-5-7-20(8-6-18)25-27-22-13-15-23(16-14-22)28-26-21-11-9-19(10-12-21)24-17-32(29,30)31;1-2-3-4-17-5-9-19(10-6-17)24-26-21-13-15-22(16-14-21)27-25-20-11-7-18(23)8-12-20;1-2-3-4-13-5-9-15(10-6-13)18-19-16-11-7-14(17)8-12-16;9-12(10,11)6-8-7-4-2-1-3-5-7;;/h8-19H,3-7H2,1-2H3;5-16,24H,2-4,17H2,1H3,(H,29,30,31);5-16H,2-4,23H2,1H3;5-12H,2-4,17H2,1H3;1-5,8H,6H2,(H,9,10,11);;/q;;;;;2*+1/p-2/b28-26+,29-27+;27-25+,28-26+;26-24+,27-25+;19-18+;;;
InChIKeyYZGYQMVAUWPHPG-XMFVTRRQSA-L
XLogP22.67
TPSA363.54 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds34
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001678.07
LogP ≤ 522.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze disodium;anilinomethanesulfonate;4-[(4-butylphenyl)diazenyl]aniline;4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]aniline;[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]anilino]methanesulfonate;(4-butylphenyl)-[4-[(4-propylphenyl)diazenyl]phenyl]diazene with MolForge

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Related Compounds

disodium;anilinomethanesulfonate;4-butylaniline;4-[(4-butylphenyl)diazenyl]aniline;(4-butylphenyl)-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene;methane;1-phenylpyrrolidine;hydroxide
CID 159362122
disodium;anilinomethanesulfonate;4-[[4-(trifluoromethyl)phenyl]diazenyl]aniline;4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline;[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]anilino]methanesulfonate;3-[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-1-ol
CID 159811386
4-[(4-dodecylphenyl)diazenyl]aniline
CID 142720328
4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine
CID 59230081
4-[(4-butylphenyl)diazenyl]-N-methylaniline
CID 129106039
N-[3-(4-propylphenyl)propyl]aniline
CID 90752574
4-[[4-(4-propylphenoxy)phenyl]diazenyl]aniline
CID 129086495
N-octadecyl-4-phenyldiazenylaniline
CID 15787928
4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 163976726
N-methylmethanamine;4-phenyldiazenylaniline
CID 18792572
butylbenzene;propylbenzene
CID 142022125
4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline
CID 134597339

Frequently Asked Questions

What is the IUPAC name of disodium;anilinomethanesulfonate;4-[(4-butylphenyl)diazenyl]aniline;4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]aniline;[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]anilino]methanesulfonate;(4-butylphenyl)-[4-[(4-propylphenyl)diazenyl]phenyl]diazene?
The IUPAC name of disodium;anilinomethanesulfonate;4-[(4-butylphenyl)diazenyl]aniline;4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]aniline;[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]anilino]methanesulfonate;(4-butylphenyl)-[4-[(4-propylphenyl)diazenyl]phenyl]diazene (CID 162056695) is disodium;anilinomethanesulfonate;4-[(4-butylphenyl)diazenyl]aniline;4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]aniline;[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]anilino]methanesulfonate;(4-butylphenyl)-[4-[(4-propylphenyl)diazenyl]phenyl]diazene.
What is the SMILES notation for disodium;anilinomethanesulfonate;4-[(4-butylphenyl)diazenyl]aniline;4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]aniline;[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]anilino]methanesulfonate;(4-butylphenyl)-[4-[(4-propylphenyl)diazenyl]phenyl]diazene?
The canonical SMILES for disodium;anilinomethanesulfonate;4-[(4-butylphenyl)diazenyl]aniline;4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]aniline;[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]anilino]methanesulfonate;(4-butylphenyl)-[4-[(4-propylphenyl)diazenyl]phenyl]diazene is CCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(CCC)cc3)cc2)cc1.CCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(N)cc3)cc2)cc1.CCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(NCS(=O)(=O)[O-])cc3)cc2)cc1.CCCCc1ccc(/N=N/c2ccc(N)cc2)cc1.O=S(=O)([O-])CNc1ccccc1.[Na+].[Na+].
What is the InChIKey of disodium;anilinomethanesulfonate;4-[(4-butylphenyl)diazenyl]aniline;4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]aniline;[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]anilino]methanesulfonate;(4-butylphenyl)-[4-[(4-propylphenyl)diazenyl]phenyl]diazene?
The InChIKey is YZGYQMVAUWPHPG-XMFVTRRQSA-L. The full InChI is InChI=1S/C25H28N4.C23H25N5O3S.C22H23N5.C16H19N3.C7H9NO3S.2Na/c1-3-5-7-21-10-14-23(15-11-21)27-29-25-18-16-24(17-19-25)28-26-22-12-8-20(6-4-2)9-13-22;1-2-3-4-18-5-7-20(8-6-18)25-27-22-13-15-23(16-14-22)28-26-21-11-9-19(10-12-21)24-17-32(29,30)31;1-2-3-4-17-5-9-19(10-6-17)24-26-21-13-15-22(16-14-21)27-25-20-11-7-18(23)8-12-20;1-2-3-4-13-5-9-15(10-6-13)18-19-16-11-7-14(17)8-12-16;9-12(10,11)6-8-7-4-2-1-3-5-7;;/h8-19H,3-7H2,1-2H3;5-16,24H,2-4,17H2,1H3,(H,29,30,31);5-16H,2-4,23H2,1H3;5-12H,2-4,17H2,1H3;1-5,8H,6H2,(H,9,10,11);;/q;;;;;2*+1/p-2/b28-26+,29-27+;27-25+,28-26+;26-24+,27-25+;19-18+;;;.
What are the key properties of disodium;anilinomethanesulfonate;4-[(4-butylphenyl)diazenyl]aniline;4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]aniline;[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]anilino]methanesulfonate;(4-butylphenyl)-[4-[(4-propylphenyl)diazenyl]phenyl]diazene?
disodium;anilinomethanesulfonate;4-[(4-butylphenyl)diazenyl]aniline;4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]aniline;[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]anilino]methanesulfonate;(4-butylphenyl)-[4-[(4-propylphenyl)diazenyl]phenyl]diazene has a molecular weight of 1678.07 g/mol, XLogP of 22.67, 34 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;anilinomethanesulfonate;4-[(4-butylphenyl)diazenyl]aniline;4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]aniline;[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]anilino]methanesulfonate;(4-butylphenyl)-[4-[(4-propylphenyl)diazenyl]phenyl]diazene is sourced from PubChem (CID 162056695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).