(E)-N-(5-bromo-2-ethoxyphenyl)sulfonylbenzenecarboximidoyl chloride

C15H13BrClNO3S — CID 18871854

IUPAC(E)-N-(5-bromo-2-ethoxyphenyl)sulfonylbenzenecarboximidoyl chloride
SMILESCCOc1ccc(Br)cc1S(=O)(=O)/N=C(/Cl)c1ccccc1
InChIInChI=1S/C15H13BrClNO3S/c1-2-21-13-9-8-12(16)10-14(13)22(19,20)18-15(17)11-6-4-3-5-7-11/h3-10H,2H2,1H3/b18-15+
InChIKeyZMCFICPQLJAJPF-OBGWFSINSA-N
MW402.70 g/mol
LogP4.22
Rot. Bonds5

About (E)-N-(5-bromo-2-ethoxyphenyl)sulfonylbenzenecarboximidoyl chloride

(E)-N-(5-bromo-2-ethoxyphenyl)sulfonylbenzenecarboximidoyl chloride (PubChem CID 18871854) has the molecular formula C15H13BrClNO3S and a molecular weight of 402.70 g/mol. Its IUPAC name is (E)-N-(5-bromo-2-ethoxyphenyl)sulfonylbenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(E)-N-(5-bromo-2-ethoxyphenyl)sulfonylbenzenecarboximidoyl chloride
PubChem CID18871854
Molecular FormulaC15H13BrClNO3S
Molecular Weight402.70 g/mol
Exact Mass400.95
IUPAC Name(E)-N-(5-bromo-2-ethoxyphenyl)sulfonylbenzenecarboximidoyl chloride
SMILESCCOc1ccc(Br)cc1S(=O)(=O)/N=C(/Cl)c1ccccc1
InChIInChI=1S/C15H13BrClNO3S/c1-2-21-13-9-8-12(16)10-14(13)22(19,20)18-15(17)11-6-4-3-5-7-11/h3-10H,2H2,1H3/b18-15+
InChIKeyZMCFICPQLJAJPF-OBGWFSINSA-N
XLogP4.22
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.70
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-ethoxybenzenesulfonic acid;hydrochloride
CID 174820450
N-benzhydryl-5-bromo-2-ethoxybenzenesulfonamide
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CID 2126237
N-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide
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(2-ethoxyphenyl) 5-bromo-2-fluorobenzenesulfonate
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CID 2394336
8-[(5-bromo-2-ethoxyphenyl)sulfonylamino]naphthalene-1-carboxylic acid
CID 2432126
N-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 43596964
(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methanone
CID 43311306
5-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-ethoxybenzenesulfonamide
CID 2161250
2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 2377022
5-[(5-bromo-2-ethoxyphenyl)sulfonylamino]pentanoic acid
CID 62032156

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-bromo-2-ethoxyphenyl)sulfonylbenzenecarboximidoyl chloride?
The IUPAC name of (E)-N-(5-bromo-2-ethoxyphenyl)sulfonylbenzenecarboximidoyl chloride (CID 18871854) is (E)-N-(5-bromo-2-ethoxyphenyl)sulfonylbenzenecarboximidoyl chloride.
What is the SMILES notation for (E)-N-(5-bromo-2-ethoxyphenyl)sulfonylbenzenecarboximidoyl chloride?
The canonical SMILES for (E)-N-(5-bromo-2-ethoxyphenyl)sulfonylbenzenecarboximidoyl chloride is CCOc1ccc(Br)cc1S(=O)(=O)/N=C(/Cl)c1ccccc1.
What is the InChIKey of (E)-N-(5-bromo-2-ethoxyphenyl)sulfonylbenzenecarboximidoyl chloride?
The InChIKey is ZMCFICPQLJAJPF-OBGWFSINSA-N. The full InChI is InChI=1S/C15H13BrClNO3S/c1-2-21-13-9-8-12(16)10-14(13)22(19,20)18-15(17)11-6-4-3-5-7-11/h3-10H,2H2,1H3/b18-15+.
What are the key properties of (E)-N-(5-bromo-2-ethoxyphenyl)sulfonylbenzenecarboximidoyl chloride?
(E)-N-(5-bromo-2-ethoxyphenyl)sulfonylbenzenecarboximidoyl chloride has a molecular weight of 402.70 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-bromo-2-ethoxyphenyl)sulfonylbenzenecarboximidoyl chloride is sourced from PubChem (CID 18871854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).