2-amino-N,N-bis(2-ethylhexyl)benzenesulfonamide;N,N-bis(2-ethylhexyl)-2-[(2-hydroxy-6-oxo-4-phenyl-1H-pyridin-3-yl)diazenyl]benzenesulfonamide;6-hydroxy-4-phenyl-1H-pyridin-2-one

C66H95N7O8S2 — CID 158531164

IUPAC2-amino-N,N-bis(2-ethylhexyl)benzenesulfonamide;N,N-bis(2-ethylhexyl)-2-[(2-hydroxy-6-oxo-4-phenyl-1H-pyridin-3-yl)diazenyl]benzenesulfonamide;6-hydroxy-4-phenyl-1H-pyridin-2-one
SMILESCCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)c1ccccc1/N=N/c1c(-c2ccccc2)cc(=O)[nH]c1O.CCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)c1ccccc1N.O=c1cc(-c2ccccc2)cc(O)[nH]1
InChIInChI=1S/C33H46N4O4S.C22H40N2O2S.C11H9NO2/c1-5-9-16-25(7-3)23-37(24-26(8-4)17-10-6-2)42(40,41)30-21-15-14-20-29(30)35-36-32-28(22-31(38)34-33(32)39)27-18-12-11-13-19-27;1-5-9-13-19(7-3)17-24(18-20(8-4)14-10-6-2)27(25,26)22-16-12-11-15-21(22)23;13-10-6-9(7-11(14)12-10)8-4-2-1-3-5-8/h11-15,18-22,25-26H,5-10,16-17,23-24H2,1-4H3,(H2,34,38,39);11-12,15-16,19-20H,5-10,13-14,17-18,23H2,1-4H3;1-7H,(H2,12,13,14)/b36-35+;;
InChIKeyHNJRTCIMEARCOM-APVPWGIASA-N
MW1178.66 g/mol
LogP16.03
Rot. Bonds32

About 2-amino-N,N-bis(2-ethylhexyl)benzenesulfonamide;N,N-bis(2-ethylhexyl)-2-[(2-hydroxy-6-oxo-4-phenyl-1H-pyridin-3-yl)diazenyl]benzenesulfonamide;6-hydroxy-4-phenyl-1H-pyridin-2-one

2-amino-N,N-bis(2-ethylhexyl)benzenesulfonamide;N,N-bis(2-ethylhexyl)-2-[(2-hydroxy-6-oxo-4-phenyl-1H-pyridin-3-yl)diazenyl]benzenesulfonamide;6-hydroxy-4-phenyl-1H-pyridin-2-one (PubChem CID 158531164) has the molecular formula C66H95N7O8S2 and a molecular weight of 1178.66 g/mol. Its IUPAC name is 2-amino-N,N-bis(2-ethylhexyl)benzenesulfonamide;N,N-bis(2-ethylhexyl)-2-[(2-hydroxy-6-oxo-4-phenyl-1H-pyridin-3-yl)diazenyl]benzenesulfonamide;6-hydroxy-4-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name2-amino-N,N-bis(2-ethylhexyl)benzenesulfonamide;N,N-bis(2-ethylhexyl)-2-[(2-hydroxy-6-oxo-4-phenyl-1H-pyridin-3-yl)diazenyl]benzenesulfonamide;6-hydroxy-4-phenyl-1H-pyridin-2-one
PubChem CID158531164
Molecular FormulaC66H95N7O8S2
Molecular Weight1178.66 g/mol
Exact Mass1177.67
IUPAC Name2-amino-N,N-bis(2-ethylhexyl)benzenesulfonamide;N,N-bis(2-ethylhexyl)-2-[(2-hydroxy-6-oxo-4-phenyl-1H-pyridin-3-yl)diazenyl]benzenesulfonamide;6-hydroxy-4-phenyl-1H-pyridin-2-one
SMILESCCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)c1ccccc1/N=N/c1c(-c2ccccc2)cc(=O)[nH]c1O.CCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)c1ccccc1N.O=c1cc(-c2ccccc2)cc(O)[nH]1
InChIInChI=1S/C33H46N4O4S.C22H40N2O2S.C11H9NO2/c1-5-9-16-25(7-3)23-37(24-26(8-4)17-10-6-2)42(40,41)30-21-15-14-20-29(30)35-36-32-28(22-31(38)34-33(32)39)27-18-12-11-13-19-27;1-5-9-13-19(7-3)17-24(18-20(8-4)14-10-6-2)27(25,26)22-16-12-11-15-21(22)23;13-10-6-9(7-11(14)12-10)8-4-2-1-3-5-8/h11-15,18-22,25-26H,5-10,16-17,23-24H2,1-4H3,(H2,34,38,39);11-12,15-16,19-20H,5-10,13-14,17-18,23H2,1-4H3;1-7H,(H2,12,13,14)/b36-35+;;
InChIKeyHNJRTCIMEARCOM-APVPWGIASA-N
XLogP16.03
TPSA231.68 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds32
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001178.66
LogP ≤ 516.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-bis(2-ethylhexyl)benzenesulfonamide;N,N-bis(2-ethylhexyl)-2-[(2-hydroxy-6-oxo-4-phenyl-1H-pyridin-3-yl)diazenyl]benzenesulfonamide;6-hydroxy-4-phenyl-1H-pyridin-2-one?
The IUPAC name of 2-amino-N,N-bis(2-ethylhexyl)benzenesulfonamide;N,N-bis(2-ethylhexyl)-2-[(2-hydroxy-6-oxo-4-phenyl-1H-pyridin-3-yl)diazenyl]benzenesulfonamide;6-hydroxy-4-phenyl-1H-pyridin-2-one (CID 158531164) is 2-amino-N,N-bis(2-ethylhexyl)benzenesulfonamide;N,N-bis(2-ethylhexyl)-2-[(2-hydroxy-6-oxo-4-phenyl-1H-pyridin-3-yl)diazenyl]benzenesulfonamide;6-hydroxy-4-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 2-amino-N,N-bis(2-ethylhexyl)benzenesulfonamide;N,N-bis(2-ethylhexyl)-2-[(2-hydroxy-6-oxo-4-phenyl-1H-pyridin-3-yl)diazenyl]benzenesulfonamide;6-hydroxy-4-phenyl-1H-pyridin-2-one?
The canonical SMILES for 2-amino-N,N-bis(2-ethylhexyl)benzenesulfonamide;N,N-bis(2-ethylhexyl)-2-[(2-hydroxy-6-oxo-4-phenyl-1H-pyridin-3-yl)diazenyl]benzenesulfonamide;6-hydroxy-4-phenyl-1H-pyridin-2-one is CCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)c1ccccc1/N=N/c1c(-c2ccccc2)cc(=O)[nH]c1O.CCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)c1ccccc1N.O=c1cc(-c2ccccc2)cc(O)[nH]1.
What is the InChIKey of 2-amino-N,N-bis(2-ethylhexyl)benzenesulfonamide;N,N-bis(2-ethylhexyl)-2-[(2-hydroxy-6-oxo-4-phenyl-1H-pyridin-3-yl)diazenyl]benzenesulfonamide;6-hydroxy-4-phenyl-1H-pyridin-2-one?
The InChIKey is HNJRTCIMEARCOM-APVPWGIASA-N. The full InChI is InChI=1S/C33H46N4O4S.C22H40N2O2S.C11H9NO2/c1-5-9-16-25(7-3)23-37(24-26(8-4)17-10-6-2)42(40,41)30-21-15-14-20-29(30)35-36-32-28(22-31(38)34-33(32)39)27-18-12-11-13-19-27;1-5-9-13-19(7-3)17-24(18-20(8-4)14-10-6-2)27(25,26)22-16-12-11-15-21(22)23;13-10-6-9(7-11(14)12-10)8-4-2-1-3-5-8/h11-15,18-22,25-26H,5-10,16-17,23-24H2,1-4H3,(H2,34,38,39);11-12,15-16,19-20H,5-10,13-14,17-18,23H2,1-4H3;1-7H,(H2,12,13,14)/b36-35+;;.
What are the key properties of 2-amino-N,N-bis(2-ethylhexyl)benzenesulfonamide;N,N-bis(2-ethylhexyl)-2-[(2-hydroxy-6-oxo-4-phenyl-1H-pyridin-3-yl)diazenyl]benzenesulfonamide;6-hydroxy-4-phenyl-1H-pyridin-2-one?
2-amino-N,N-bis(2-ethylhexyl)benzenesulfonamide;N,N-bis(2-ethylhexyl)-2-[(2-hydroxy-6-oxo-4-phenyl-1H-pyridin-3-yl)diazenyl]benzenesulfonamide;6-hydroxy-4-phenyl-1H-pyridin-2-one has a molecular weight of 1178.66 g/mol, XLogP of 16.03, 32 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-bis(2-ethylhexyl)benzenesulfonamide;N,N-bis(2-ethylhexyl)-2-[(2-hydroxy-6-oxo-4-phenyl-1H-pyridin-3-yl)diazenyl]benzenesulfonamide;6-hydroxy-4-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 158531164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).