2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide

C20H18BrN3O5S — CID 137157567

IUPAC2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C\c1cc(Br)ccc1O
InChIInChI=1S/C20H18BrN3O5S/c21-16-8-9-19(25)15(11-16)12-22-23-20(26)14-24(13-17-5-4-10-29-17)30(27,28)18-6-2-1-3-7-18/h1-12,25H,13-14H2,(H,23,26)/b22-12-
InChIKeyNFNHCYSDVNSSLZ-UUYOSTAYSA-N
MW492.35 g/mol
LogP3.09
Rot. Bonds8

About 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide

2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 137157567) has the molecular formula C20H18BrN3O5S and a molecular weight of 492.35 g/mol. Its IUPAC name is 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID137157567
Molecular FormulaC20H18BrN3O5S
Molecular Weight492.35 g/mol
Exact Mass491.02
IUPAC Name2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C\c1cc(Br)ccc1O
InChIInChI=1S/C20H18BrN3O5S/c21-16-8-9-19(25)15(11-16)12-22-23-20(26)14-24(13-17-5-4-10-29-17)30(27,28)18-6-2-1-3-7-18/h1-12,25H,13-14H2,(H,23,26)/b22-12-
InChIKeyNFNHCYSDVNSSLZ-UUYOSTAYSA-N
XLogP3.09
TPSA112.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 94847274
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 137168087
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 6256260
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 137065174
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 94846766
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]acetamide
CID 137168159
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 94847262
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
CID 137168117
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 137168364
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 98091448
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid
CID 716043
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135644179

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide (CID 137157567) is 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide is O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C\c1cc(Br)ccc1O.
What is the InChIKey of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is NFNHCYSDVNSSLZ-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H18BrN3O5S/c21-16-8-9-19(25)15(11-16)12-22-23-20(26)14-24(13-17-5-4-10-29-17)30(27,28)18-6-2-1-3-7-18/h1-12,25H,13-14H2,(H,23,26)/b22-12-.
What are the key properties of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide?
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 492.35 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 137157567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).