5-amino-2-[(Z)-2-[4-amino-2-[bis(2-ethoxyethyl)sulfamoyl]phenyl]ethenyl]-N,N-bis(2-ethoxyethyl)benzenesulfonamide

C30H48N4O8S2 — CID 5380153

IUPAC5-amino-2-[(Z)-2-[4-amino-2-[bis(2-ethoxyethyl)sulfamoyl]phenyl]ethenyl]-N,N-bis(2-ethoxyethyl)benzenesulfonamide
SMILESCCOCCN(CCOCC)S(=O)(=O)c1cc(N)ccc1/C=C\c1ccc(N)cc1S(=O)(=O)N(CCOCC)CCOCC
InChIInChI=1S/C30H48N4O8S2/c1-5-39-19-15-33(16-20-40-6-2)43(35,36)29-23-27(31)13-11-25(29)9-10-26-12-14-28(32)24-30(26)44(37,38)34(17-21-41-7-3)18-22-42-8-4/h9-14,23-24H,5-8,15-22,31-32H2,1-4H3/b10-9-
InChIKeyHVHZMNWWGFXTDI-KTKRTIGZSA-N
MW656.87 g/mol
LogP3.15
Rot. Bonds22

About 5-amino-2-[(Z)-2-[4-amino-2-[bis(2-ethoxyethyl)sulfamoyl]phenyl]ethenyl]-N,N-bis(2-ethoxyethyl)benzenesulfonamide

5-amino-2-[(Z)-2-[4-amino-2-[bis(2-ethoxyethyl)sulfamoyl]phenyl]ethenyl]-N,N-bis(2-ethoxyethyl)benzenesulfonamide (PubChem CID 5380153) has the molecular formula C30H48N4O8S2 and a molecular weight of 656.87 g/mol. Its IUPAC name is 5-amino-2-[(Z)-2-[4-amino-2-[bis(2-ethoxyethyl)sulfamoyl]phenyl]ethenyl]-N,N-bis(2-ethoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-[(Z)-2-[4-amino-2-[bis(2-ethoxyethyl)sulfamoyl]phenyl]ethenyl]-N,N-bis(2-ethoxyethyl)benzenesulfonamide
PubChem CID5380153
Molecular FormulaC30H48N4O8S2
Molecular Weight656.87 g/mol
Exact Mass656.29
IUPAC Name5-amino-2-[(Z)-2-[4-amino-2-[bis(2-ethoxyethyl)sulfamoyl]phenyl]ethenyl]-N,N-bis(2-ethoxyethyl)benzenesulfonamide
SMILESCCOCCN(CCOCC)S(=O)(=O)c1cc(N)ccc1/C=C\c1ccc(N)cc1S(=O)(=O)N(CCOCC)CCOCC
InChIInChI=1S/C30H48N4O8S2/c1-5-39-19-15-33(16-20-40-6-2)43(35,36)29-23-27(31)13-11-25(29)9-10-26-12-14-28(32)24-30(26)44(37,38)34(17-21-41-7-3)18-22-42-8-4/h9-14,23-24H,5-8,15-22,31-32H2,1-4H3/b10-9-
InChIKeyHVHZMNWWGFXTDI-KTKRTIGZSA-N
XLogP3.15
TPSA163.72 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500656.87
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63696287
4-amino-N-(2-ethoxyethyl)-N-ethyl-2-nitrobenzenesulfonamide
CID 63691664
4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
CID 81053199
2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63695936
5-amino-N-(2-ethoxyethyl)-N-methyl-2-nitrobenzenesulfonamide
CID 81061940
2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63698233
N,N-bis(2-ethoxyethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 3706171
4-bromo-3-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 115297795
6-amino-N-(2-ethoxyethyl)-N-methyl-1H-indole-3-sulfonamide
CID 81053511
5-amino-2-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 65206601
2,4-dibromo-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63691305
5-amino-2-chloro-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63695748

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(Z)-2-[4-amino-2-[bis(2-ethoxyethyl)sulfamoyl]phenyl]ethenyl]-N,N-bis(2-ethoxyethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-[(Z)-2-[4-amino-2-[bis(2-ethoxyethyl)sulfamoyl]phenyl]ethenyl]-N,N-bis(2-ethoxyethyl)benzenesulfonamide (CID 5380153) is 5-amino-2-[(Z)-2-[4-amino-2-[bis(2-ethoxyethyl)sulfamoyl]phenyl]ethenyl]-N,N-bis(2-ethoxyethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-[(Z)-2-[4-amino-2-[bis(2-ethoxyethyl)sulfamoyl]phenyl]ethenyl]-N,N-bis(2-ethoxyethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-[(Z)-2-[4-amino-2-[bis(2-ethoxyethyl)sulfamoyl]phenyl]ethenyl]-N,N-bis(2-ethoxyethyl)benzenesulfonamide is CCOCCN(CCOCC)S(=O)(=O)c1cc(N)ccc1/C=C\c1ccc(N)cc1S(=O)(=O)N(CCOCC)CCOCC.
What is the InChIKey of 5-amino-2-[(Z)-2-[4-amino-2-[bis(2-ethoxyethyl)sulfamoyl]phenyl]ethenyl]-N,N-bis(2-ethoxyethyl)benzenesulfonamide?
The InChIKey is HVHZMNWWGFXTDI-KTKRTIGZSA-N. The full InChI is InChI=1S/C30H48N4O8S2/c1-5-39-19-15-33(16-20-40-6-2)43(35,36)29-23-27(31)13-11-25(29)9-10-26-12-14-28(32)24-30(26)44(37,38)34(17-21-41-7-3)18-22-42-8-4/h9-14,23-24H,5-8,15-22,31-32H2,1-4H3/b10-9-.
What are the key properties of 5-amino-2-[(Z)-2-[4-amino-2-[bis(2-ethoxyethyl)sulfamoyl]phenyl]ethenyl]-N,N-bis(2-ethoxyethyl)benzenesulfonamide?
5-amino-2-[(Z)-2-[4-amino-2-[bis(2-ethoxyethyl)sulfamoyl]phenyl]ethenyl]-N,N-bis(2-ethoxyethyl)benzenesulfonamide has a molecular weight of 656.87 g/mol, XLogP of 3.15, 22 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(Z)-2-[4-amino-2-[bis(2-ethoxyethyl)sulfamoyl]phenyl]ethenyl]-N,N-bis(2-ethoxyethyl)benzenesulfonamide is sourced from PubChem (CID 5380153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).