N-[3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclohexen-1-yl]-4-hydroxyphenyl]-4-methylbenzenesulfonamide

C30H32N2O4S — CID 25047452

IUPACN-[3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclohexen-1-yl]-4-hydroxyphenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(O)c(C3=C(N4CCOCC4)/C(=C\c4ccccc4)CCC3)c2)cc1
InChIInChI=1S/C30H32N2O4S/c1-22-10-13-26(14-11-22)37(34,35)31-25-12-15-29(33)28(21-25)27-9-5-8-24(20-23-6-3-2-4-7-23)30(27)32-16-18-36-19-17-32/h2-4,6-7,10-15,20-21,31,33H,5,8-9,16-19H2,1H3/b24-20-
InChIKeyUAWNXETUVSCHKH-GFMRDNFCSA-N
MW516.66 g/mol
LogP5.81
Rot. Bonds6

About N-[3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclohexen-1-yl]-4-hydroxyphenyl]-4-methylbenzenesulfonamide

N-[3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclohexen-1-yl]-4-hydroxyphenyl]-4-methylbenzenesulfonamide (PubChem CID 25047452) has the molecular formula C30H32N2O4S and a molecular weight of 516.66 g/mol. Its IUPAC name is N-[3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclohexen-1-yl]-4-hydroxyphenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclohexen-1-yl]-4-hydroxyphenyl]-4-methylbenzenesulfonamide
PubChem CID25047452
Molecular FormulaC30H32N2O4S
Molecular Weight516.66 g/mol
Exact Mass516.21
IUPAC NameN-[3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclohexen-1-yl]-4-hydroxyphenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(O)c(C3=C(N4CCOCC4)/C(=C\c4ccccc4)CCC3)c2)cc1
InChIInChI=1S/C30H32N2O4S/c1-22-10-13-26(14-11-22)37(34,35)31-25-12-15-29(33)28(21-25)27-9-5-8-24(20-23-6-3-2-4-7-23)30(27)32-16-18-36-19-17-32/h2-4,6-7,10-15,20-21,31,33H,5,8-9,16-19H2,1H3/b24-20-
InChIKeyUAWNXETUVSCHKH-GFMRDNFCSA-N
XLogP5.81
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.66
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzenesulfonamide
CID 6158019
3-morpholin-4-yl-1,4-dioxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide
CID 25048263
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100522105
5-[(4-methylphenyl)sulfonylamino]-2-pyrrolidin-1-ylbenzoic acid
CID 169370562
N-[3-(2,7-dihydroxynaphthalen-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide
CID 25037495
N-(4-methylphenyl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
CID 25037207
N-[3-chloro-4-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]phenyl]-4-methylbenzenesulfonamide
CID 169372116
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide
CID 25042699
4-methyl-N-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 169370241
3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 4157842
4-methyl-N-[4-[(E)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enoyl]phenyl]benzenesulfonamide
CID 6216613
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 92680117

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclohexen-1-yl]-4-hydroxyphenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclohexen-1-yl]-4-hydroxyphenyl]-4-methylbenzenesulfonamide (CID 25047452) is N-[3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclohexen-1-yl]-4-hydroxyphenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclohexen-1-yl]-4-hydroxyphenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclohexen-1-yl]-4-hydroxyphenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C3=C(N4CCOCC4)/C(=C\c4ccccc4)CCC3)c2)cc1.
What is the InChIKey of N-[3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclohexen-1-yl]-4-hydroxyphenyl]-4-methylbenzenesulfonamide?
The InChIKey is UAWNXETUVSCHKH-GFMRDNFCSA-N. The full InChI is InChI=1S/C30H32N2O4S/c1-22-10-13-26(14-11-22)37(34,35)31-25-12-15-29(33)28(21-25)27-9-5-8-24(20-23-6-3-2-4-7-23)30(27)32-16-18-36-19-17-32/h2-4,6-7,10-15,20-21,31,33H,5,8-9,16-19H2,1H3/b24-20-.
What are the key properties of N-[3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclohexen-1-yl]-4-hydroxyphenyl]-4-methylbenzenesulfonamide?
N-[3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclohexen-1-yl]-4-hydroxyphenyl]-4-methylbenzenesulfonamide has a molecular weight of 516.66 g/mol, XLogP of 5.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclohexen-1-yl]-4-hydroxyphenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 25047452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).