1-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzene

C10H14F2N2O2S — CID 110789026

IUPAC1-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzene
SMILESCN(C)S(=O)(=O)NCCc1ccc(F)cc1F
InChIInChI=1S/C10H14F2N2O2S/c1-14(2)17(15,16)13-6-5-8-3-4-9(11)7-10(8)12/h3-4,7,13H,5-6H2,1-2H3
InChIKeyKAACZSFJGMUQIX-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.90
Rot. Bonds5

About 1-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzene

1-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzene (PubChem CID 110789026) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzene
PubChem CID110789026
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Name1-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzene
SMILESCN(C)S(=O)(=O)NCCc1ccc(F)cc1F
InChIInChI=1S/C10H14F2N2O2S/c1-14(2)17(15,16)13-6-5-8-3-4-9(11)7-10(8)12/h3-4,7,13H,5-6H2,1-2H3
InChIKeyKAACZSFJGMUQIX-UHFFFAOYSA-N
XLogP0.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(dimethylsulfamoylamino)ethyl]-2-fluorobenzene
CID 35310058
N-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzamide
CID 51102133
N-[2-(2,4-difluorophenyl)ethyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide
CID 166229475
1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene
CID 35617109
N-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 110789033
2-[(dimethylsulfamoylamino)methyl]-4-fluoro-1-methoxybenzene
CID 110780219
1-[2-(dimethylsulfamoylamino)ethyl]-4-hydroxybenzene
CID 61017659
N'-[2-(2,4-difluorophenyl)ethyl]methanediamine
CID 115226055
N-[2-(2,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 110795613
1-[2-(dimethylsulfamoylamino)ethyl]-2-methoxy-4-propan-2-ylbenzene
CID 110789543
N'-[2-(2,4-difluorophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202122
2-chloro-N-[2-(2,4-difluorophenyl)ethyl]-N-methylacetamide
CID 115162195

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzene?
The IUPAC name of 1-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzene (CID 110789026) is 1-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzene is CN(C)S(=O)(=O)NCCc1ccc(F)cc1F.
What is the InChIKey of 1-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzene?
The InChIKey is KAACZSFJGMUQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c1-14(2)17(15,16)13-6-5-8-3-4-9(11)7-10(8)12/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of 1-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzene?
1-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzene has a molecular weight of 264.30 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzene is sourced from PubChem (CID 110789026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).