N-(3,4-difluorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide

C12H17F2N3O3S — CID 113064664

IUPACN-(3,4-difluorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)N(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C12H17F2N3O3S/c1-9(18)17(7-6-15-21(19,20)16(2)3)10-4-5-11(13)12(14)8-10/h4-5,8,15H,6-7H2,1-3H3
InChIKeyOMHYFIWOFUSBAW-UHFFFAOYSA-N
MW321.35 g/mol
LogP0.71
Rot. Bonds6

About N-(3,4-difluorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide

N-(3,4-difluorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide (PubChem CID 113064664) has the molecular formula C12H17F2N3O3S and a molecular weight of 321.35 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
PubChem CID113064664
Molecular FormulaC12H17F2N3O3S
Molecular Weight321.35 g/mol
Exact Mass321.10
IUPAC NameN-(3,4-difluorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)N(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C12H17F2N3O3S/c1-9(18)17(7-6-15-21(19,20)16(2)3)10-4-5-11(13)12(14)8-10/h4-5,8,15H,6-7H2,1-3H3
InChIKeyOMHYFIWOFUSBAW-UHFFFAOYSA-N
XLogP0.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
CID 113059573
N-(3,4-difluorophenyl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113064672
N-(3,4-difluorophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113064682
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3,4-difluorophenyl)acetamide
CID 113064685
3-(N-acetyl-3,4-difluoroanilino)propanoic acid
CID 28764847
N-(3-cyanophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
CID 113064269
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-methylbutanamide
CID 113064598
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-bromobenzamide
CID 113064613
N-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113060118
N-(4-fluorophenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113059351
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-fluorobenzamide
CID 113064610
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113064620

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide (CID 113064664) is N-(3,4-difluorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide is CC(=O)N(CCNS(=O)(=O)N(C)C)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide?
The InChIKey is OMHYFIWOFUSBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O3S/c1-9(18)17(7-6-15-21(19,20)16(2)3)10-4-5-11(13)12(14)8-10/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of N-(3,4-difluorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide?
N-(3,4-difluorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide has a molecular weight of 321.35 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide is sourced from PubChem (CID 113064664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).