2-(benzenesulfonyl)-N-[2-(difluoromethoxy)phenyl]acetamide

C15H13F2NO4S — CID 112779682

IUPAC2-(benzenesulfonyl)-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1ccccc1OC(F)F
InChIInChI=1S/C15H13F2NO4S/c16-15(17)22-13-9-5-4-8-12(13)18-14(19)10-23(20,21)11-6-2-1-3-7-11/h1-9,15H,10H2,(H,18,19)
InChIKeyAXVPMKYHIWGTSS-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.70
Rot. Bonds6

About 2-(benzenesulfonyl)-N-[2-(difluoromethoxy)phenyl]acetamide

2-(benzenesulfonyl)-N-[2-(difluoromethoxy)phenyl]acetamide (PubChem CID 112779682) has the molecular formula C15H13F2NO4S and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-[2-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-[2-(difluoromethoxy)phenyl]acetamide
PubChem CID112779682
Molecular FormulaC15H13F2NO4S
Molecular Weight341.34 g/mol
Exact Mass341.05
IUPAC Name2-(benzenesulfonyl)-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1ccccc1OC(F)F
InChIInChI=1S/C15H13F2NO4S/c16-15(17)22-13-9-5-4-8-12(13)18-14(19)10-23(20,21)11-6-2-1-3-7-11/h1-9,15H,10H2,(H,18,19)
InChIKeyAXVPMKYHIWGTSS-UHFFFAOYSA-N
XLogP2.70
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-3-hydroxy-3-phenylpropanamide
CID 110883082
N-(2-aminophenyl)-2-(benzenesulfonyl)acetamide
CID 43444147
2-(benzenesulfonyl)-N-(2-propan-2-ylphenyl)acetamide
CID 2992103
N-[2-(difluoromethoxy)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 78991445
N-[2-(difluoromethoxy)phenyl]benzenesulfonamide
CID 8504766
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833478
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7821391
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyphenoxy)acetamide
CID 7941491
N-[2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 2591520
2-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]sulfanylbenzoic acid
CID 5019415
N-[2-(difluoromethoxy)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 8912661
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-phenylethenylsulfonylamino)acetate
CID 3286515

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-[2-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-[2-(difluoromethoxy)phenyl]acetamide (CID 112779682) is 2-(benzenesulfonyl)-N-[2-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-[2-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-[2-(difluoromethoxy)phenyl]acetamide is O=C(CS(=O)(=O)c1ccccc1)Nc1ccccc1OC(F)F.
What is the InChIKey of 2-(benzenesulfonyl)-N-[2-(difluoromethoxy)phenyl]acetamide?
The InChIKey is AXVPMKYHIWGTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO4S/c16-15(17)22-13-9-5-4-8-12(13)18-14(19)10-23(20,21)11-6-2-1-3-7-11/h1-9,15H,10H2,(H,18,19).
What are the key properties of 2-(benzenesulfonyl)-N-[2-(difluoromethoxy)phenyl]acetamide?
2-(benzenesulfonyl)-N-[2-(difluoromethoxy)phenyl]acetamide has a molecular weight of 341.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-[2-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 112779682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).