N-benzyl-N-hydroxybenzenesulfonamide

C13H13NO3S — CID 71955991

IUPACN-benzyl-N-hydroxybenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(O)Cc1ccccc1
InChIInChI=1S/C13H13NO3S/c15-14(11-12-7-3-1-4-8-12)18(16,17)13-9-5-2-6-10-13/h1-10,15H,11H2
InChIKeyNUIZJLUSCMWHRI-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.27
Rot. Bonds4

About N-benzyl-N-hydroxybenzenesulfonamide

N-benzyl-N-hydroxybenzenesulfonamide (PubChem CID 71955991) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-benzyl-N-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-hydroxybenzenesulfonamide
PubChem CID71955991
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC NameN-benzyl-N-hydroxybenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(O)Cc1ccccc1
InChIInChI=1S/C13H13NO3S/c15-14(11-12-7-3-1-4-8-12)18(16,17)13-9-5-2-6-10-13/h1-10,15H,11H2
InChIKeyNUIZJLUSCMWHRI-UHFFFAOYSA-N
XLogP2.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
2-[benzenesulfonyl(benzyl)amino]acetyl chloride
CID 50894500
N-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 56647729
2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide
CID 4780411
N-[(4-acetylphenyl)methyl]-N-(benzenesulfonyl)benzenesulfonamide
CID 135065997
N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 54184847
N-benzyl-N-(2-chloroethyl)benzenesulfonamide
CID 14170856
benzyl(sulfo)sulfamic acid
CID 54427947
N-benzyl-N-(cyanomethyl)benzenesulfonamide
CID 51258343
N-(benzenesulfonyl)-N-[(4-cyanophenyl)methyl]benzenesulfonamide
CID 135065156

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-hydroxybenzenesulfonamide?
The IUPAC name of N-benzyl-N-hydroxybenzenesulfonamide (CID 71955991) is N-benzyl-N-hydroxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-hydroxybenzenesulfonamide?
The canonical SMILES for N-benzyl-N-hydroxybenzenesulfonamide is O=S(=O)(c1ccccc1)N(O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-hydroxybenzenesulfonamide?
The InChIKey is NUIZJLUSCMWHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c15-14(11-12-7-3-1-4-8-12)18(16,17)13-9-5-2-6-10-13/h1-10,15H,11H2.
What are the key properties of N-benzyl-N-hydroxybenzenesulfonamide?
N-benzyl-N-hydroxybenzenesulfonamide has a molecular weight of 263.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-hydroxybenzenesulfonamide is sourced from PubChem (CID 71955991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).