3-(difluoromethyl)-2-fluoro-4-propan-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide

C13H15F6NO2S — CID 138659120

IUPAC3-(difluoromethyl)-2-fluoro-4-propan-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)c(F)c1C(F)F
InChIInChI=1S/C13H15F6NO2S/c1-6(2)8-4-5-9(11(14)10(8)12(15)16)23(21,22)20-7(3)13(17,18)19/h4-7,12,20H,1-3H3/t7-/m0/s1
InChIKeyCCNPFFMWLCXFIF-ZETCQYMHSA-N
MW363.32 g/mol
LogP4.12
Rot. Bonds5

About 3-(difluoromethyl)-2-fluoro-4-propan-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide

3-(difluoromethyl)-2-fluoro-4-propan-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide (PubChem CID 138659120) has the molecular formula C13H15F6NO2S and a molecular weight of 363.32 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-fluoro-4-propan-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-(difluoromethyl)-2-fluoro-4-propan-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
PubChem CID138659120
Molecular FormulaC13H15F6NO2S
Molecular Weight363.32 g/mol
Exact Mass363.07
IUPAC Name3-(difluoromethyl)-2-fluoro-4-propan-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)c(F)c1C(F)F
InChIInChI=1S/C13H15F6NO2S/c1-6(2)8-4-5-9(11(14)10(8)12(15)16)23(21,22)20-7(3)13(17,18)19/h4-7,12,20H,1-3H3/t7-/m0/s1
InChIKeyCCNPFFMWLCXFIF-ZETCQYMHSA-N
XLogP4.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2,4-dimethyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
CID 118188676
1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrrole-3-sulfonamide
CID 174789252
2-chloro-4-methyl-3-(trifluoromethoxy)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
CID 118188481
6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 86668141
N-tert-butyl-2-chloro-3-(difluoromethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-chloro-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N-tert-butyl-2,3-dimethyl-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-fluoro-4-propan-2-yl-2-(trifluoromethoxy)benzenesulfonamide;2-chloro-3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-2-fluoro-N,4-di(propan-2-yl)benzenesulfonamide
CID 160980247
N-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]-3-fluoro-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
CID 123178865
1-(2,2-difluoroethyl)-N-[3-(difluoromethyl)-4-fluorophenyl]-3-fluoro-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 178045885
2-bromo-4-fluoro-1-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrole-3-sulfonamide
CID 141430869
4-bromo-N-(3,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 116528836
3-chloro-N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
CID 118302158
5-[3-chloro-2-(difluoromethyl)-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]-4-(cyclobutylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
CID 118185969
methyl 3-bromo-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 121294844

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-fluoro-4-propan-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?
The IUPAC name of 3-(difluoromethyl)-2-fluoro-4-propan-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide (CID 138659120) is 3-(difluoromethyl)-2-fluoro-4-propan-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-(difluoromethyl)-2-fluoro-4-propan-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-(difluoromethyl)-2-fluoro-4-propan-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide is CC(C)c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)c(F)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-fluoro-4-propan-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?
The InChIKey is CCNPFFMWLCXFIF-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H15F6NO2S/c1-6(2)8-4-5-9(11(14)10(8)12(15)16)23(21,22)20-7(3)13(17,18)19/h4-7,12,20H,1-3H3/t7-/m0/s1.
What are the key properties of 3-(difluoromethyl)-2-fluoro-4-propan-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?
3-(difluoromethyl)-2-fluoro-4-propan-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide has a molecular weight of 363.32 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-fluoro-4-propan-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 138659120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).