N-hydroxy-2-(4-iodo-2-methylanilino)benzenesulfonamide

C13H13IN2O3S — CID 54081464

IUPACN-hydroxy-2-(4-iodo-2-methylanilino)benzenesulfonamide
SMILESCc1cc(I)ccc1Nc1ccccc1S(=O)(=O)NO
InChIInChI=1S/C13H13IN2O3S/c1-9-8-10(14)6-7-11(9)15-12-4-2-3-5-13(12)20(18,19)16-17/h2-8,15-17H,1H3
InChIKeyMNKMERMOOHZJNL-UHFFFAOYSA-N
MW404.23 g/mol
LogP3.01
Rot. Bonds4

About N-hydroxy-2-(4-iodo-2-methylanilino)benzenesulfonamide

N-hydroxy-2-(4-iodo-2-methylanilino)benzenesulfonamide (PubChem CID 54081464) has the molecular formula C13H13IN2O3S and a molecular weight of 404.23 g/mol. Its IUPAC name is N-hydroxy-2-(4-iodo-2-methylanilino)benzenesulfonamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-iodo-2-methylanilino)benzenesulfonamide
PubChem CID54081464
Molecular FormulaC13H13IN2O3S
Molecular Weight404.23 g/mol
Exact Mass403.97
IUPAC NameN-hydroxy-2-(4-iodo-2-methylanilino)benzenesulfonamide
SMILESCc1cc(I)ccc1Nc1ccccc1S(=O)(=O)NO
InChIInChI=1S/C13H13IN2O3S/c1-9-8-10(14)6-7-11(9)15-12-4-2-3-5-13(12)20(18,19)16-17/h2-8,15-17H,1H3
InChIKeyMNKMERMOOHZJNL-UHFFFAOYSA-N
XLogP3.01
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.23
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 3513589
fluoro-[2-(4-iodo-2-methylanilino)phenyl]methanol
CID 151515953
methyl 2-[(4-iodo-2-methylphenyl)sulfamoyl]benzoate
CID 5102720
N-(4-iodo-2-methylphenyl)-2-methoxybenzenesulfonamide
CID 47104373
5-iodo-2-(4-iodo-2-methylanilino)benzamide
CID 142657189
N-(4-iodo-2-methylphenyl)-2-[2-(4-methoxyphenyl)sulfonylanilino]acetamide
CID 22305154
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(4-iodo-2-methylphenyl)-3-methylbutanamide
CID 55937923
1-N-(4-iodo-2-methylphenyl)-2-methylpropane-1,2-diamine
CID 130588894
N'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108500263
5-amino-2-(2-methylanilino)benzenesulfonic acid
CID 53423153
N-(2-chlorophenyl)-2-(4-iodo-2-methylanilino)acetamide
CID 2604442
N-[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]-2-methoxybenzamide
CID 174430701

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(4-iodo-2-methylanilino)benzenesulfonamide?
The IUPAC name of N-hydroxy-2-(4-iodo-2-methylanilino)benzenesulfonamide (CID 54081464) is N-hydroxy-2-(4-iodo-2-methylanilino)benzenesulfonamide.
What is the SMILES notation for N-hydroxy-2-(4-iodo-2-methylanilino)benzenesulfonamide?
The canonical SMILES for N-hydroxy-2-(4-iodo-2-methylanilino)benzenesulfonamide is Cc1cc(I)ccc1Nc1ccccc1S(=O)(=O)NO.
What is the InChIKey of N-hydroxy-2-(4-iodo-2-methylanilino)benzenesulfonamide?
The InChIKey is MNKMERMOOHZJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O3S/c1-9-8-10(14)6-7-11(9)15-12-4-2-3-5-13(12)20(18,19)16-17/h2-8,15-17H,1H3.
What are the key properties of N-hydroxy-2-(4-iodo-2-methylanilino)benzenesulfonamide?
N-hydroxy-2-(4-iodo-2-methylanilino)benzenesulfonamide has a molecular weight of 404.23 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-iodo-2-methylanilino)benzenesulfonamide is sourced from PubChem (CID 54081464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).