N-[2-(phenoxymethylsulfonyl)phenyl]formamide

C14H13NO4S — CID 168652907

IUPACN-[2-(phenoxymethylsulfonyl)phenyl]formamide
SMILESO=CNc1ccccc1S(=O)(=O)COc1ccccc1
InChIInChI=1S/C14H13NO4S/c16-10-15-13-8-4-5-9-14(13)20(17,18)11-19-12-6-2-1-3-7-12/h1-10H,11H2,(H,15,16)
InChIKeyNFTOINQNJXVSKC-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.07
Rot. Bonds6

About N-[2-(phenoxymethylsulfonyl)phenyl]formamide

N-[2-(phenoxymethylsulfonyl)phenyl]formamide (PubChem CID 168652907) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[2-(phenoxymethylsulfonyl)phenyl]formamide.

Molecular Properties

Compound NameN-[2-(phenoxymethylsulfonyl)phenyl]formamide
PubChem CID168652907
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC NameN-[2-(phenoxymethylsulfonyl)phenyl]formamide
SMILESO=CNc1ccccc1S(=O)(=O)COc1ccccc1
InChIInChI=1S/C14H13NO4S/c16-10-15-13-8-4-5-9-14(13)20(17,18)11-19-12-6-2-1-3-7-12/h1-10H,11H2,(H,15,16)
InChIKeyNFTOINQNJXVSKC-UHFFFAOYSA-N
XLogP2.07
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-phenoxyethoxy)phenyl]formamide
CID 168654375
N-[2-(diethylsulfamoyl)phenyl]formamide
CID 168651949
phenoxymethanesulfonyl iodide
CID 174484438
N-[2-(2,2-dimethylpropoxy)phenyl]formamide
CID 143321861
2-amino-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride
CID 126467495
N-[2-[(2-formamidophenyl)methyl]phenyl]formamide
CID 54221440
2-(aminomethyl)-N-(2-phenoxyethyl)pyridine-3-sulfonamide
CID 106594268
1-phenoxy-N-propylmethanesulfonamide
CID 67759583
N-(5-methyl-2-phenoxyphenyl)formamide
CID 2336214
N-(2-ethoxyphenyl)formamide;molecular hydrogen
CID 142473191
N-[2-(4-phenylbutoxy)phenyl]formamide
CID 150186708
2-nitro-N-(2-phenoxyethyl)benzenesulfonamide
CID 2302768

Frequently Asked Questions

What is the IUPAC name of N-[2-(phenoxymethylsulfonyl)phenyl]formamide?
The IUPAC name of N-[2-(phenoxymethylsulfonyl)phenyl]formamide (CID 168652907) is N-[2-(phenoxymethylsulfonyl)phenyl]formamide.
What is the SMILES notation for N-[2-(phenoxymethylsulfonyl)phenyl]formamide?
The canonical SMILES for N-[2-(phenoxymethylsulfonyl)phenyl]formamide is O=CNc1ccccc1S(=O)(=O)COc1ccccc1.
What is the InChIKey of N-[2-(phenoxymethylsulfonyl)phenyl]formamide?
The InChIKey is NFTOINQNJXVSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c16-10-15-13-8-4-5-9-14(13)20(17,18)11-19-12-6-2-1-3-7-12/h1-10H,11H2,(H,15,16).
What are the key properties of N-[2-(phenoxymethylsulfonyl)phenyl]formamide?
N-[2-(phenoxymethylsulfonyl)phenyl]formamide has a molecular weight of 291.33 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(phenoxymethylsulfonyl)phenyl]formamide is sourced from PubChem (CID 168652907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).