N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzenesulfonamide

C12H9ClN2O5S — CID 64787891

IUPACN-(4-chloro-3-hydroxyphenyl)-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Cl)c(O)c1
InChIInChI=1S/C12H9ClN2O5S/c13-9-6-5-8(7-11(9)16)14-21(19,20)12-4-2-1-3-10(12)15(17)18/h1-7,14,16H
InChIKeyJCFNVDXAOWNMLV-UHFFFAOYSA-N
MW328.73 g/mol
LogP2.75
Rot. Bonds4

About N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzenesulfonamide

N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzenesulfonamide (PubChem CID 64787891) has the molecular formula C12H9ClN2O5S and a molecular weight of 328.73 g/mol. Its IUPAC name is N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-hydroxyphenyl)-2-nitrobenzenesulfonamide
PubChem CID64787891
Molecular FormulaC12H9ClN2O5S
Molecular Weight328.73 g/mol
Exact Mass327.99
IUPAC NameN-(4-chloro-3-hydroxyphenyl)-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Cl)c(O)c1
InChIInChI=1S/C12H9ClN2O5S/c13-9-6-5-8(7-11(9)16)14-21(19,20)12-4-2-1-3-10(12)15(17)18/h1-7,14,16H
InChIKeyJCFNVDXAOWNMLV-UHFFFAOYSA-N
XLogP2.75
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.73
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-chlorophenyl)-2-nitrobenzenesulfonamide
CID 4876033
N-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide
CID 779344
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-nitrobenzenesulfonamide
CID 2176221
N-(4-iodophenyl)-2-nitrobenzenesulfonamide
CID 1380183
N-(3-bromo-4-fluorophenyl)-2-nitrobenzenesulfonamide
CID 115663224
N-(3,5-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 779865
N-(4-chloro-3-nitrophenyl)-2-ethylbenzenesulfonamide
CID 19887945
N-(3-chlorophenyl)-2-methyl-5-[(2-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 26979178
1-[3-[(2-nitrophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 31075653
N-(6-acetylnaphthalen-2-yl)-2-nitrobenzenesulfonamide
CID 53468341
N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide
CID 64786319
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-2-nitrobenzenesulfonamide
CID 22203669

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzenesulfonamide?
The IUPAC name of N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzenesulfonamide (CID 64787891) is N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Cl)c(O)c1.
What is the InChIKey of N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzenesulfonamide?
The InChIKey is JCFNVDXAOWNMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O5S/c13-9-6-5-8(7-11(9)16)14-21(19,20)12-4-2-1-3-10(12)15(17)18/h1-7,14,16H.
What are the key properties of N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzenesulfonamide?
N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzenesulfonamide has a molecular weight of 328.73 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 64787891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).