N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]methanesulfonamide

C8H8BrClN2O3S — CID 727419

IUPACN-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]methanesulfonamide
SMILESCS(=O)(=O)NN=Cc1cc(Cl)cc(Br)c1O
InChIInChI=1S/C8H8BrClN2O3S/c1-16(14,15)12-11-4-5-2-6(10)3-7(9)8(5)13/h2-4,12-13H,1H3
InChIKeyQRPKCPWTBCYONY-UHFFFAOYSA-N
MW327.59 g/mol
LogP1.69
Rot. Bonds3

About N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]methanesulfonamide

N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]methanesulfonamide (PubChem CID 727419) has the molecular formula C8H8BrClN2O3S and a molecular weight of 327.59 g/mol. Its IUPAC name is N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]methanesulfonamide.

Molecular Properties

Compound NameN-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]methanesulfonamide
PubChem CID727419
Molecular FormulaC8H8BrClN2O3S
Molecular Weight327.59 g/mol
Exact Mass325.91
IUPAC NameN-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]methanesulfonamide
SMILESCS(=O)(=O)NN=Cc1cc(Cl)cc(Br)c1O
InChIInChI=1S/C8H8BrClN2O3S/c1-16(14,15)12-11-4-5-2-6(10)3-7(9)8(5)13/h2-4,12-13H,1H3
InChIKeyQRPKCPWTBCYONY-UHFFFAOYSA-N
XLogP1.69
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.59
LogP ≤ 51.69
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

2-bromo-4-chloro-6-methanehydrazonoylphenol
CID 136503874
N-[(2,4-dichlorophenyl)methylideneamino]methanesulfonamide
CID 867204
N-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]methanesulfonamide
CID 170687992
N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-methylbenzamide
CID 137069281
N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide
CID 136904981
N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2,6-dibromo-4-methoxyphenoxy)acetamide
CID 136720696
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]acetic acid
CID 136811178
4-bromo-N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzenesulfonamide
CID 3926873
2-bromo-4-chloro-6-[(E)-[[4-(difluoromethyl)-6-methyl-2-pyridinyl]hydrazinylidene]methyl]phenol
CID 143199924
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168592991
2-bromo-4-chloro-6-[2-(propylamino)ethyliminomethyl]phenol
CID 135912099
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 136807805

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]methanesulfonamide?
The IUPAC name of N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]methanesulfonamide (CID 727419) is N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]methanesulfonamide.
What is the SMILES notation for N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]methanesulfonamide?
The canonical SMILES for N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]methanesulfonamide is CS(=O)(=O)NN=Cc1cc(Cl)cc(Br)c1O.
What is the InChIKey of N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]methanesulfonamide?
The InChIKey is QRPKCPWTBCYONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2O3S/c1-16(14,15)12-11-4-5-2-6(10)3-7(9)8(5)13/h2-4,12-13H,1H3.
What are the key properties of N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]methanesulfonamide?
N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]methanesulfonamide has a molecular weight of 327.59 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]methanesulfonamide is sourced from PubChem (CID 727419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).