N-[(2-methoxyphenyl)methoxy]-2-methylsulfonylbenzenesulfonamide

C15H17NO6S2 — CID 129056963

IUPACN-[(2-methoxyphenyl)methoxy]-2-methylsulfonylbenzenesulfonamide
SMILESCOc1ccccc1CONS(=O)(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C15H17NO6S2/c1-21-13-8-4-3-7-12(13)11-22-16-24(19,20)15-10-6-5-9-14(15)23(2,17)18/h3-10,16H,11H2,1-2H3
InChIKeyMOMLUEALDPVDSQ-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.51
Rot. Bonds7

About N-[(2-methoxyphenyl)methoxy]-2-methylsulfonylbenzenesulfonamide

N-[(2-methoxyphenyl)methoxy]-2-methylsulfonylbenzenesulfonamide (PubChem CID 129056963) has the molecular formula C15H17NO6S2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methoxy]-2-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methoxy]-2-methylsulfonylbenzenesulfonamide
PubChem CID129056963
Molecular FormulaC15H17NO6S2
Molecular Weight371.44 g/mol
Exact Mass371.05
IUPAC NameN-[(2-methoxyphenyl)methoxy]-2-methylsulfonylbenzenesulfonamide
SMILESCOc1ccccc1CONS(=O)(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C15H17NO6S2/c1-21-13-8-4-3-7-12(13)11-22-16-24(19,20)15-10-6-5-9-14(15)23(2,17)18/h3-10,16H,11H2,1-2H3
InChIKeyMOMLUEALDPVDSQ-UHFFFAOYSA-N
XLogP1.51
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methylsulfonyl-N-phenylmethoxybenzenesulfonamide
CID 129056966
2-methoxy-N-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 82715039
N-[(2-methoxyphenyl)methoxy]methanamine
CID 105433405
N-[(2-methoxyphenyl)methoxy]formamide
CID 141216703
N-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 18081414
N-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylbenzenesulfonamide
CID 129056904
3-[(2-methoxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 167917867
2-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 43454817
N-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide
CID 86922498
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
2-[(2-methoxyphenyl)methylsulfonyl]phenol
CID 174818780
N-[hydroxy(2-methoxyethoxy)methoxy]-2-methylsulfonylbenzenesulfonamide
CID 137428400

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methoxy]-2-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[(2-methoxyphenyl)methoxy]-2-methylsulfonylbenzenesulfonamide (CID 129056963) is N-[(2-methoxyphenyl)methoxy]-2-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methoxy]-2-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[(2-methoxyphenyl)methoxy]-2-methylsulfonylbenzenesulfonamide is COc1ccccc1CONS(=O)(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of N-[(2-methoxyphenyl)methoxy]-2-methylsulfonylbenzenesulfonamide?
The InChIKey is MOMLUEALDPVDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO6S2/c1-21-13-8-4-3-7-12(13)11-22-16-24(19,20)15-10-6-5-9-14(15)23(2,17)18/h3-10,16H,11H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methoxy]-2-methylsulfonylbenzenesulfonamide?
N-[(2-methoxyphenyl)methoxy]-2-methylsulfonylbenzenesulfonamide has a molecular weight of 371.44 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methoxy]-2-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 129056963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).