5-chloro-N-hydroxy-2-methoxybenzenesulfonamide

C7H8ClNO4S — CID 82083952

IUPAC5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NO
InChIInChI=1S/C7H8ClNO4S/c1-13-6-3-2-5(8)4-7(6)14(11,12)9-10/h2-4,9-10H,1H3
InChIKeyMBAJQUGWVOMLOQ-UHFFFAOYSA-N
MW237.66 g/mol
LogP1.02
Rot. Bonds3

About 5-chloro-N-hydroxy-2-methoxybenzenesulfonamide

5-chloro-N-hydroxy-2-methoxybenzenesulfonamide (PubChem CID 82083952) has the molecular formula C7H8ClNO4S and a molecular weight of 237.66 g/mol. Its IUPAC name is 5-chloro-N-hydroxy-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
PubChem CID82083952
Molecular FormulaC7H8ClNO4S
Molecular Weight237.66 g/mol
Exact Mass236.99
IUPAC Name5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NO
InChIInChI=1S/C7H8ClNO4S/c1-13-6-3-2-5(8)4-7(6)14(11,12)9-10/h2-4,9-10H,1H3
InChIKeyMBAJQUGWVOMLOQ-UHFFFAOYSA-N
XLogP1.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.66
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 70601990
CID 70601990
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 110287793
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 4664874
methyl 5-chloro-2-methoxybenzenesulfonate
CID 89056294
5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716555
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 82345223
N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetamide
CID 112994958
5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 3716409

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-hydroxy-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-hydroxy-2-methoxybenzenesulfonamide (CID 82083952) is 5-chloro-N-hydroxy-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-hydroxy-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-hydroxy-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NO.
What is the InChIKey of 5-chloro-N-hydroxy-2-methoxybenzenesulfonamide?
The InChIKey is MBAJQUGWVOMLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO4S/c1-13-6-3-2-5(8)4-7(6)14(11,12)9-10/h2-4,9-10H,1H3.
What are the key properties of 5-chloro-N-hydroxy-2-methoxybenzenesulfonamide?
5-chloro-N-hydroxy-2-methoxybenzenesulfonamide has a molecular weight of 237.66 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-hydroxy-2-methoxybenzenesulfonamide is sourced from PubChem (CID 82083952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).