N-[(5-amino-2-hydroxyphenyl)methyl]-2,5-dichlorobenzenesulfonamide

C13H12Cl2N2O3S — CID 43550315

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]-2,5-dichlorobenzenesulfonamide
SMILESNc1ccc(O)c(CNS(=O)(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H12Cl2N2O3S/c14-9-1-3-11(15)13(6-9)21(19,20)17-7-8-5-10(16)2-4-12(8)18/h1-6,17-18H,7,16H2
InChIKeyAKLMEEZYPYISGO-UHFFFAOYSA-N
MW347.22 g/mol
LogP2.76
Rot. Bonds4

About N-[(5-amino-2-hydroxyphenyl)methyl]-2,5-dichlorobenzenesulfonamide

N-[(5-amino-2-hydroxyphenyl)methyl]-2,5-dichlorobenzenesulfonamide (PubChem CID 43550315) has the molecular formula C13H12Cl2N2O3S and a molecular weight of 347.22 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]-2,5-dichlorobenzenesulfonamide
PubChem CID43550315
Molecular FormulaC13H12Cl2N2O3S
Molecular Weight347.22 g/mol
Exact Mass345.99
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]-2,5-dichlorobenzenesulfonamide
SMILESNc1ccc(O)c(CNS(=O)(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H12Cl2N2O3S/c14-9-1-3-11(15)13(6-9)21(19,20)17-7-8-5-10(16)2-4-12(8)18/h1-6,17-18H,7,16H2
InChIKeyAKLMEEZYPYISGO-UHFFFAOYSA-N
XLogP2.76
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 43604538
2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 4858598
N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 43550358
2,5-dichloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide
CID 86952203
2-[(2,5-dichlorophenyl)sulfonylamino]ethanethioamide
CID 61127500
N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 43550344
4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide
CID 9150223
N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044
4-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28525638
2,5-dichloro-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 86042045
2,5-dichloro-N-[(3-ethynyl-2,4-difluorophenyl)methyl]benzenesulfonamide
CID 142751728
5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 29031468

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-2,5-dichlorobenzenesulfonamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-2,5-dichlorobenzenesulfonamide (CID 43550315) is N-[(5-amino-2-hydroxyphenyl)methyl]-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]-2,5-dichlorobenzenesulfonamide is Nc1ccc(O)c(CNS(=O)(=O)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]-2,5-dichlorobenzenesulfonamide?
The InChIKey is AKLMEEZYPYISGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3S/c14-9-1-3-11(15)13(6-9)21(19,20)17-7-8-5-10(16)2-4-12(8)18/h1-6,17-18H,7,16H2.
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]-2,5-dichlorobenzenesulfonamide?
N-[(5-amino-2-hydroxyphenyl)methyl]-2,5-dichlorobenzenesulfonamide has a molecular weight of 347.22 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-hydroxyphenyl)methyl]-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 43550315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).