2-cyano-3-(trifluoromethyl)benzenesulfonamide

C8H5F3N2O2S — CID 118996048

IUPAC2-cyano-3-(trifluoromethyl)benzenesulfonamide
SMILESN#Cc1c(C(F)(F)F)cccc1S(N)(=O)=O
InChIInChI=1S/C8H5F3N2O2S/c9-8(10,11)6-2-1-3-7(5(6)4-12)16(13,14)15/h1-3H,(H2,13,14,15)
InChIKeyIMBCBLLBPNMSNV-UHFFFAOYSA-N
MW250.20 g/mol
LogP1.22
Rot. Bonds1

About 2-cyano-3-(trifluoromethyl)benzenesulfonamide

2-cyano-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 118996048) has the molecular formula C8H5F3N2O2S and a molecular weight of 250.20 g/mol. Its IUPAC name is 2-cyano-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-3-(trifluoromethyl)benzenesulfonamide
PubChem CID118996048
Molecular FormulaC8H5F3N2O2S
Molecular Weight250.20 g/mol
Exact Mass250.00
IUPAC Name2-cyano-3-(trifluoromethyl)benzenesulfonamide
SMILESN#Cc1c(C(F)(F)F)cccc1S(N)(=O)=O
InChIInChI=1S/C8H5F3N2O2S/c9-8(10,11)6-2-1-3-7(5(6)4-12)16(13,14)15/h1-3H,(H2,13,14,15)
InChIKeyIMBCBLLBPNMSNV-UHFFFAOYSA-N
XLogP1.22
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 140584359
2-cyano-6-(trifluoromethyl)benzenesulfonamide
CID 171028588
6-amino-2-cyano-3-(trifluoromethyl)benzenesulfonamide
CID 151930753
2-chloro-6-(trifluoromethyl)benzonitrile
CID 10867457
2-(aminomethyl)-6-(trifluoromethyl)benzonitrile
CID 86617537
3-(2-aminophenyl)-2-cyanobenzenesulfonamide
CID 174596921
2-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67327886
4-cyano-2-iodo-5-(trifluoromethyl)benzenesulfonamide
CID 154727788
2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide
CID 23448648
2-amino-3-bromo-6-(trifluoromethyl)benzonitrile
CID 122237339
2-bromo-6-(trifluoromethyl)benzonitrile;2-iodo-1,3-dimethylbenzene
CID 174883127
2-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 175046961

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-cyano-3-(trifluoromethyl)benzenesulfonamide (CID 118996048) is 2-cyano-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-3-(trifluoromethyl)benzenesulfonamide is N#Cc1c(C(F)(F)F)cccc1S(N)(=O)=O.
What is the InChIKey of 2-cyano-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is IMBCBLLBPNMSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O2S/c9-8(10,11)6-2-1-3-7(5(6)4-12)16(13,14)15/h1-3H,(H2,13,14,15).
What are the key properties of 2-cyano-3-(trifluoromethyl)benzenesulfonamide?
2-cyano-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 250.20 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118996048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).