1-(sulfamoylamino)-2-(2,2,2-trifluoroethylsulfanyl)benzene

C8H9F3N2O2S2 — CID 112573492

IUPAC1-(sulfamoylamino)-2-(2,2,2-trifluoroethylsulfanyl)benzene
SMILESNS(=O)(=O)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C8H9F3N2O2S2/c9-8(10,11)5-16-7-4-2-1-3-6(7)13-17(12,14)15/h1-4,13H,5H2,(H2,12,14,15)
InChIKeyVYTCMCTYMHIYHG-UHFFFAOYSA-N
MW286.30 g/mol
LogP1.96
Rot. Bonds4

About 1-(sulfamoylamino)-2-(2,2,2-trifluoroethylsulfanyl)benzene

1-(sulfamoylamino)-2-(2,2,2-trifluoroethylsulfanyl)benzene (PubChem CID 112573492) has the molecular formula C8H9F3N2O2S2 and a molecular weight of 286.30 g/mol. Its IUPAC name is 1-(sulfamoylamino)-2-(2,2,2-trifluoroethylsulfanyl)benzene.

Molecular Properties

Compound Name1-(sulfamoylamino)-2-(2,2,2-trifluoroethylsulfanyl)benzene
PubChem CID112573492
Molecular FormulaC8H9F3N2O2S2
Molecular Weight286.30 g/mol
Exact Mass286.01
IUPAC Name1-(sulfamoylamino)-2-(2,2,2-trifluoroethylsulfanyl)benzene
SMILESNS(=O)(=O)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C8H9F3N2O2S2/c9-8(10,11)5-16-7-4-2-1-3-6(7)13-17(12,14)15/h1-4,13H,5H2,(H2,12,14,15)
InChIKeyVYTCMCTYMHIYHG-UHFFFAOYSA-N
XLogP1.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]sulfamoyl]acetic acid
CID 43361756
1-N-methyl-4-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzene-1,4-disulfonamide
CID 46635998
4-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzenesulfonamide
CID 16615645
N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102691731
N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 63091072
1-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pyrazole-4-sulfonamide
CID 55647338
N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 16615646
2,2,2-trifluoroethyl N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]carbamate
CID 65173849
2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 43167988
(2S)-2-amino-3-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 61179824
(2S)-2-amino-3,3-dimethyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 61180010
N-(1,1-difluoropropan-2-yl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 102868476

Frequently Asked Questions

What is the IUPAC name of 1-(sulfamoylamino)-2-(2,2,2-trifluoroethylsulfanyl)benzene?
The IUPAC name of 1-(sulfamoylamino)-2-(2,2,2-trifluoroethylsulfanyl)benzene (CID 112573492) is 1-(sulfamoylamino)-2-(2,2,2-trifluoroethylsulfanyl)benzene.
What is the SMILES notation for 1-(sulfamoylamino)-2-(2,2,2-trifluoroethylsulfanyl)benzene?
The canonical SMILES for 1-(sulfamoylamino)-2-(2,2,2-trifluoroethylsulfanyl)benzene is NS(=O)(=O)Nc1ccccc1SCC(F)(F)F.
What is the InChIKey of 1-(sulfamoylamino)-2-(2,2,2-trifluoroethylsulfanyl)benzene?
The InChIKey is VYTCMCTYMHIYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S2/c9-8(10,11)5-16-7-4-2-1-3-6(7)13-17(12,14)15/h1-4,13H,5H2,(H2,12,14,15).
What are the key properties of 1-(sulfamoylamino)-2-(2,2,2-trifluoroethylsulfanyl)benzene?
1-(sulfamoylamino)-2-(2,2,2-trifluoroethylsulfanyl)benzene has a molecular weight of 286.30 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfamoylamino)-2-(2,2,2-trifluoroethylsulfanyl)benzene is sourced from PubChem (CID 112573492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).