(NZ)-N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide

C18H20BrNO4S — CID 110518761

IUPAC(NZ)-N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide
SMILESCCCOc1c(Br)cc(/C=N\S(=O)(=O)c2ccccc2)cc1OCC
InChIInChI=1S/C18H20BrNO4S/c1-3-10-24-18-16(19)11-14(12-17(18)23-4-2)13-20-25(21,22)15-8-6-5-7-9-15/h5-9,11-13H,3-4,10H2,1-2H3/b20-13-
InChIKeyOPXJYCYHTRRTCZ-MOSHPQCFSA-N
MW426.33 g/mol
LogP4.44
Rot. Bonds8

About (NZ)-N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide

(NZ)-N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide (PubChem CID 110518761) has the molecular formula C18H20BrNO4S and a molecular weight of 426.33 g/mol. Its IUPAC name is (NZ)-N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide
PubChem CID110518761
Molecular FormulaC18H20BrNO4S
Molecular Weight426.33 g/mol
Exact Mass425.03
IUPAC Name(NZ)-N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide
SMILESCCCOc1c(Br)cc(/C=N\S(=O)(=O)c2ccccc2)cc1OCC
InChIInChI=1S/C18H20BrNO4S/c1-3-10-24-18-16(19)11-14(12-17(18)23-4-2)13-20-25(21,22)15-8-6-5-7-9-15/h5-9,11-13H,3-4,10H2,1-2H3/b20-13-
InChIKeyOPXJYCYHTRRTCZ-MOSHPQCFSA-N
XLogP4.44
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.33
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide
CID 110518758
(NZ)-N-[(3-bromo-4,5-dimethoxyphenyl)methylidene]benzenesulfonamide
CID 110518789
1-[(E)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-phenylurea
CID 110508825
(NZ)-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide
CID 136873764
3-(3-bromo-5-ethoxy-4-propoxyphenyl)prop-2-enoic acid
CID 57360342
(NE)-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-chlorobenzenesulfonamide
CID 135688610
N-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-chlorobenzamide
CID 110509267
[2-bromo-4-[(2,3-dimethylphenyl)iminomethyl]-6-ethoxyphenyl] benzenesulfonate
CID 126220047
4-bromo-N-[(E)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 126013966
(NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide
CID 110518664
N-[(E)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-methylbenzamide
CID 126011092
N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]-1-phenylmethanamine
CID 29226744

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide?
The IUPAC name of (NZ)-N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide (CID 110518761) is (NZ)-N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide.
What is the SMILES notation for (NZ)-N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide?
The canonical SMILES for (NZ)-N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide is CCCOc1c(Br)cc(/C=N\S(=O)(=O)c2ccccc2)cc1OCC.
What is the InChIKey of (NZ)-N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide?
The InChIKey is OPXJYCYHTRRTCZ-MOSHPQCFSA-N. The full InChI is InChI=1S/C18H20BrNO4S/c1-3-10-24-18-16(19)11-14(12-17(18)23-4-2)13-20-25(21,22)15-8-6-5-7-9-15/h5-9,11-13H,3-4,10H2,1-2H3/b20-13-.
What are the key properties of (NZ)-N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide?
(NZ)-N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide has a molecular weight of 426.33 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide is sourced from PubChem (CID 110518761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).