N-[3-(methoxymethyl)phenyl]-1-phenylmethanesulfonamide

C15H17NO3S — CID 895280

IUPACN-[3-(methoxymethyl)phenyl]-1-phenylmethanesulfonamide
SMILESCOCc1cccc(NS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C15H17NO3S/c1-19-11-14-8-5-9-15(10-14)16-20(17,18)12-13-6-3-2-4-7-13/h2-10,16H,11-12H2,1H3
InChIKeyKTRIYHZKMRNLND-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.77
Rot. Bonds6

About N-[3-(methoxymethyl)phenyl]-1-phenylmethanesulfonamide

N-[3-(methoxymethyl)phenyl]-1-phenylmethanesulfonamide (PubChem CID 895280) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-1-phenylmethanesulfonamide
PubChem CID895280
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-[3-(methoxymethyl)phenyl]-1-phenylmethanesulfonamide
SMILESCOCc1cccc(NS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C15H17NO3S/c1-19-11-14-8-5-9-15(10-14)16-20(17,18)12-13-6-3-2-4-7-13/h2-10,16H,11-12H2,1H3
InChIKeyKTRIYHZKMRNLND-UHFFFAOYSA-N
XLogP2.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 17375978
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N-[3-(1,3-dioxan-2-yl)phenyl]benzenesulfonamide
CID 1265273
N-[3-[(E)-N-hydroxy-C-[4-(methoxymethyl)phenyl]carbonimidoyl]phenyl]propane-2-sulfonamide
CID 13609499
3-[(2-Butoxyethoxy)methyl]aniline
CID 15084971
3-((2-Ethoxyethoxy)methyl)aniline
CID 20113789
3-[(Cyclohexyloxy)methyl]aniline
CID 20114355
3-[(Hexyloxy)methyl]aniline
CID 28995611
3-[(2-Phenylethoxy)methyl]aniline
CID 28995697
3-{[(2-Ethylhexyl)oxy]methyl}aniline
CID 43127151
3-[(Octyloxy)methyl]aniline
CID 43127234
N-(4-methoxyphenyl)-1-phenylmethanesulfonamide
CID 669281

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-1-phenylmethanesulfonamide (CID 895280) is N-[3-(methoxymethyl)phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-1-phenylmethanesulfonamide is COCc1cccc(NS(=O)(=O)Cc2ccccc2)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-1-phenylmethanesulfonamide?
The InChIKey is KTRIYHZKMRNLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-19-11-14-8-5-9-15(10-14)16-20(17,18)12-13-6-3-2-4-7-13/h2-10,16H,11-12H2,1H3.
What are the key properties of N-[3-(methoxymethyl)phenyl]-1-phenylmethanesulfonamide?
N-[3-(methoxymethyl)phenyl]-1-phenylmethanesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 895280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).