2-methylsulfonyl-N-phenylmethoxybenzenesulfonamide

C14H15NO5S2 — CID 129056966

IUPAC2-methylsulfonyl-N-phenylmethoxybenzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)NOCc1ccccc1
InChIInChI=1S/C14H15NO5S2/c1-21(16,17)13-9-5-6-10-14(13)22(18,19)15-20-11-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3
InChIKeyPNDOJSCZIOOHBK-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.50
Rot. Bonds6

About 2-methylsulfonyl-N-phenylmethoxybenzenesulfonamide

2-methylsulfonyl-N-phenylmethoxybenzenesulfonamide (PubChem CID 129056966) has the molecular formula C14H15NO5S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-methylsulfonyl-N-phenylmethoxybenzenesulfonamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-phenylmethoxybenzenesulfonamide
PubChem CID129056966
Molecular FormulaC14H15NO5S2
Molecular Weight341.41 g/mol
Exact Mass341.04
IUPAC Name2-methylsulfonyl-N-phenylmethoxybenzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)NOCc1ccccc1
InChIInChI=1S/C14H15NO5S2/c1-21(16,17)13-9-5-6-10-14(13)22(18,19)15-20-11-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3
InChIKeyPNDOJSCZIOOHBK-UHFFFAOYSA-N
XLogP1.50
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxyphenyl)methoxy]-2-methylsulfonylbenzenesulfonamide
CID 129056963
2,4-dimethyl-N-phenylmethoxybenzenesulfonamide
CID 60681319
2,4,6-trimethyl-N-phenylmethoxybenzenesulfonamide
CID 60681294
4-bromo-N-phenylmethoxybenzenesulfonamide
CID 45378388
2-methyl-N-phenylmethoxypropane-1-sulfonamide
CID 64973774
(diethylsulfamoylamino)oxymethylbenzene
CID 60713784
2-methoxy-N-phenylmethoxyethanesulfonamide
CID 64973771
N-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide
CID 86922498
5-bromo-3-methyl-N-phenylmethoxytriazole-4-sulfonamide
CID 106466270
(2-methylsulfonylphenyl)sulfonylcarbamoyl 3-phenylpropaneperoxoate
CID 123358837
5-bromo-N-phenylmethoxypyridine-3-sulfonamide
CID 64973868
N-phenylmethoxy-1,3-benzothiazole-2-sulfonamide
CID 69015020

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-phenylmethoxybenzenesulfonamide?
The IUPAC name of 2-methylsulfonyl-N-phenylmethoxybenzenesulfonamide (CID 129056966) is 2-methylsulfonyl-N-phenylmethoxybenzenesulfonamide.
What is the SMILES notation for 2-methylsulfonyl-N-phenylmethoxybenzenesulfonamide?
The canonical SMILES for 2-methylsulfonyl-N-phenylmethoxybenzenesulfonamide is CS(=O)(=O)c1ccccc1S(=O)(=O)NOCc1ccccc1.
What is the InChIKey of 2-methylsulfonyl-N-phenylmethoxybenzenesulfonamide?
The InChIKey is PNDOJSCZIOOHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S2/c1-21(16,17)13-9-5-6-10-14(13)22(18,19)15-20-11-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3.
What are the key properties of 2-methylsulfonyl-N-phenylmethoxybenzenesulfonamide?
2-methylsulfonyl-N-phenylmethoxybenzenesulfonamide has a molecular weight of 341.41 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-phenylmethoxybenzenesulfonamide is sourced from PubChem (CID 129056966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).