4-(2-amino-1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-diethylbenzenesulfonamide

C13H16F6N2O2S — CID 24996616

IUPAC4-(2-amino-1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(N)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C13H16F6N2O2S/c1-3-21(4-2)24(22,23)10-7-5-9(6-8-10)11(20,12(14,15)16)13(17,18)19/h5-8H,3-4,20H2,1-2H3
InChIKeyOKSLRDDVVNQHGO-UHFFFAOYSA-N
MW378.34 g/mol
LogP3.00
Rot. Bonds5

About 4-(2-amino-1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-diethylbenzenesulfonamide

4-(2-amino-1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-diethylbenzenesulfonamide (PubChem CID 24996616) has the molecular formula C13H16F6N2O2S and a molecular weight of 378.34 g/mol. Its IUPAC name is 4-(2-amino-1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-amino-1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-diethylbenzenesulfonamide
PubChem CID24996616
Molecular FormulaC13H16F6N2O2S
Molecular Weight378.34 g/mol
Exact Mass378.08
IUPAC Name4-(2-amino-1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(N)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C13H16F6N2O2S/c1-3-21(4-2)24(22,23)10-7-5-9(6-8-10)11(20,12(14,15)16)13(17,18)19/h5-8H,3-4,20H2,1-2H3
InChIKeyOKSLRDDVVNQHGO-UHFFFAOYSA-N
XLogP3.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-trimethylsilylbenzenesulfonamide
CID 11254658
4-amino-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 170459200
[4-(diethylsulfamoyl)phenyl]azanium
CID 163754929
N,N-diethyl-4-sulfanylbenzenesulfonamide
CID 15027344
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
3-[ethyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 61007490
N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 5003248
N,N-diethyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzenesulfonamide
CID 13078532
4-(dimethylamino)-N,N-diethylbenzenesulfonamide
CID 11043368
[4-(diethylsulfamoyl)phenyl]methylazanium
CID 7129046
N,N-diethyl-4-(N-phenylanilino)benzenesulfonamide
CID 20654617
4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666437

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-(2-amino-1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-diethylbenzenesulfonamide (CID 24996616) is 4-(2-amino-1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-(2-amino-1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-(2-amino-1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C(N)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 4-(2-amino-1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-diethylbenzenesulfonamide?
The InChIKey is OKSLRDDVVNQHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F6N2O2S/c1-3-21(4-2)24(22,23)10-7-5-9(6-8-10)11(20,12(14,15)16)13(17,18)19/h5-8H,3-4,20H2,1-2H3.
What are the key properties of 4-(2-amino-1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-diethylbenzenesulfonamide?
4-(2-amino-1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-diethylbenzenesulfonamide has a molecular weight of 378.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 24996616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).