N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide

C13H10BrClN2O3S — CID 135519253

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide
SMILESO=S(=O)(N/N=C/c1cc(Br)ccc1O)c1ccc(Cl)cc1
InChIInChI=1S/C13H10BrClN2O3S/c14-10-1-6-13(18)9(7-10)8-16-17-21(19,20)12-4-2-11(15)3-5-12/h1-8,17-18H/b16-8+
InChIKeyQLVJCCUKYZKVCS-LZYBPNLTSA-N
MW389.66 g/mol
LogP3.12
Rot. Bonds4

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide (PubChem CID 135519253) has the molecular formula C13H10BrClN2O3S and a molecular weight of 389.66 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide
PubChem CID135519253
Molecular FormulaC13H10BrClN2O3S
Molecular Weight389.66 g/mol
Exact Mass387.93
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide
SMILESO=S(=O)(N/N=C/c1cc(Br)ccc1O)c1ccc(Cl)cc1
InChIInChI=1S/C13H10BrClN2O3S/c14-10-1-6-13(18)9(7-10)8-16-17-21(19,20)12-4-2-11(15)3-5-12/h1-8,17-18H/b16-8+
InChIKeyQLVJCCUKYZKVCS-LZYBPNLTSA-N
XLogP3.12
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.66
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 135541690
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide
CID 135747210
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 135647548
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 136782247
N-[(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide
CID 2293690
4-bromo-N-[(E)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]benzenesulfonamide
CID 136789494
4-bromo-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135752191
4-bromo-N-[(2,3-dihydroxyphenyl)methylideneamino]benzenesulfonamide
CID 2643270
4-bromo-N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzenesulfonamide
CID 3926873
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzamide
CID 136766998
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]benzenesulfonamide
CID 139074353
4-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 136661321

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide (CID 135519253) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide is O=S(=O)(N/N=C/c1cc(Br)ccc1O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide?
The InChIKey is QLVJCCUKYZKVCS-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H10BrClN2O3S/c14-10-1-6-13(18)9(7-10)8-16-17-21(19,20)12-4-2-11(15)3-5-12/h1-8,17-18H/b16-8+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide has a molecular weight of 389.66 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 135519253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).