N-[4-[2-(4-methylsulfonylphenoxy)propanoyl]phenyl]methanesulfonamide

C17H19NO6S2 — CID 55358901

IUPACN-[4-[2-(4-methylsulfonylphenoxy)propanoyl]phenyl]methanesulfonamide
SMILESCC(Oc1ccc(S(C)(=O)=O)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C17H19NO6S2/c1-12(24-15-8-10-16(11-9-15)25(2,20)21)17(19)13-4-6-14(7-5-13)18-26(3,22)23/h4-12,18H,1-3H3
InChIKeyBNPXGBLBKJMVTI-UHFFFAOYSA-N
MW397.47 g/mol
LogP2.11
Rot. Bonds7

About N-[4-[2-(4-methylsulfonylphenoxy)propanoyl]phenyl]methanesulfonamide

N-[4-[2-(4-methylsulfonylphenoxy)propanoyl]phenyl]methanesulfonamide (PubChem CID 55358901) has the molecular formula C17H19NO6S2 and a molecular weight of 397.47 g/mol. Its IUPAC name is N-[4-[2-(4-methylsulfonylphenoxy)propanoyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(4-methylsulfonylphenoxy)propanoyl]phenyl]methanesulfonamide
PubChem CID55358901
Molecular FormulaC17H19NO6S2
Molecular Weight397.47 g/mol
Exact Mass397.07
IUPAC NameN-[4-[2-(4-methylsulfonylphenoxy)propanoyl]phenyl]methanesulfonamide
SMILESCC(Oc1ccc(S(C)(=O)=O)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C17H19NO6S2/c1-12(24-15-8-10-16(11-9-15)25(2,20)21)17(19)13-4-6-14(7-5-13)18-26(3,22)23/h4-12,18H,1-3H3
InChIKeyBNPXGBLBKJMVTI-UHFFFAOYSA-N
XLogP2.11
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-2-(4-methylsulfonylphenoxy)propan-1-one
CID 51174584
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate
CID 55386201
N-[4-[2-(2,5-dichlorophenoxy)propanoyl]phenyl]methanesulfonamide
CID 18171169
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-fluorobenzoate
CID 18171371
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-propoxybenzoate
CID 42915712
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate
CID 18171311
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 46805687
2-methyl-1-(4-methylsulfonylphenyl)propan-1-one
CID 11229875
N-[4-[(2S)-2-(4-propanoylphenoxy)propanoyl]phenyl]acetamide
CID 7788104
N-[4-[(2S)-2-(diethylamino)propanoyl]phenyl]methanesulfonamide;hydrochloride
CID 22792478
N-[4-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]phenyl]methanesulfonamide
CID 76878493
[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] (1S,2R,4S)-bicyclo[2.2.1]heptane-2-carboxylate
CID 98621065

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methylsulfonylphenoxy)propanoyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-(4-methylsulfonylphenoxy)propanoyl]phenyl]methanesulfonamide (CID 55358901) is N-[4-[2-(4-methylsulfonylphenoxy)propanoyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-(4-methylsulfonylphenoxy)propanoyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-(4-methylsulfonylphenoxy)propanoyl]phenyl]methanesulfonamide is CC(Oc1ccc(S(C)(=O)=O)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[2-(4-methylsulfonylphenoxy)propanoyl]phenyl]methanesulfonamide?
The InChIKey is BNPXGBLBKJMVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6S2/c1-12(24-15-8-10-16(11-9-15)25(2,20)21)17(19)13-4-6-14(7-5-13)18-26(3,22)23/h4-12,18H,1-3H3.
What are the key properties of N-[4-[2-(4-methylsulfonylphenoxy)propanoyl]phenyl]methanesulfonamide?
N-[4-[2-(4-methylsulfonylphenoxy)propanoyl]phenyl]methanesulfonamide has a molecular weight of 397.47 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methylsulfonylphenoxy)propanoyl]phenyl]methanesulfonamide is sourced from PubChem (CID 55358901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).