(NE)-4-methyl-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide

C18H19N3O5S — CID 135016780

IUPAC(NE)-4-methyl-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C(\c2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1
InChIInChI=1S/C18H19N3O5S/c1-14-2-8-17(9-3-14)27(24,25)19-18(20-10-12-26-13-11-20)15-4-6-16(7-5-15)21(22)23/h2-9H,10-13H2,1H3/b19-18+
InChIKeyMUFYUHHNHVRPEK-VHEBQXMUSA-N
MW389.43 g/mol
LogP2.37
Rot. Bonds4

About (NE)-4-methyl-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide

(NE)-4-methyl-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide (PubChem CID 135016780) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is (NE)-4-methyl-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-methyl-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide
PubChem CID135016780
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name(NE)-4-methyl-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C(\c2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1
InChIInChI=1S/C18H19N3O5S/c1-14-2-8-17(9-3-14)27(24,25)19-18(20-10-12-26-13-11-20)15-4-6-16(7-5-15)21(22)23/h2-9H,10-13H2,1H3/b19-18+
InChIKeyMUFYUHHNHVRPEK-VHEBQXMUSA-N
XLogP2.37
TPSA102.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 2883377
CID 2883377
CID 771607
CID 771607
CID 4076257
CID 4076257
CID 9634011
CID 9634011
CID 46499975
CID 46499975
CID 6372059
CID 6372059
CID 46225410
CID 46225410
CID 2984521
CID 2984521
CID 3477234
CID 3477234
CID 3746269
CID 3746269
CID 3840991
CID 3840991
CID 75177981
CID 75177981

Frequently Asked Questions

What is the IUPAC name of (NE)-4-methyl-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide?
The IUPAC name of (NE)-4-methyl-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide (CID 135016780) is (NE)-4-methyl-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide.
What is the SMILES notation for (NE)-4-methyl-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide?
The canonical SMILES for (NE)-4-methyl-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C(\c2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1.
What is the InChIKey of (NE)-4-methyl-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide?
The InChIKey is MUFYUHHNHVRPEK-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-14-2-8-17(9-3-14)27(24,25)19-18(20-10-12-26-13-11-20)15-4-6-16(7-5-15)21(22)23/h2-9H,10-13H2,1H3/b19-18+.
What are the key properties of (NE)-4-methyl-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide?
(NE)-4-methyl-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide has a molecular weight of 389.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-methyl-N-[morpholin-4-yl-(4-nitrophenyl)methylidene]benzenesulfonamide is sourced from PubChem (CID 135016780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).