N-[4-[[3-(1,1,2,2-tetrafluoroethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide

C18H26F4N2O3S — CID 118376558

IUPACN-[4-[[3-(1,1,2,2-tetrafluoroethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNc2cccc(OC(F)(F)C(F)F)c2)CC1
InChIInChI=1S/C18H26F4N2O3S/c1-12(2)28(25,26)24-14-8-6-13(7-9-14)11-23-15-4-3-5-16(10-15)27-18(21,22)17(19)20/h3-5,10,12-14,17,23-24H,6-9,11H2,1-2H3
InChIKeyABZWYTHVBWFTSM-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.22
Rot. Bonds9

About N-[4-[[3-(1,1,2,2-tetrafluoroethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide

N-[4-[[3-(1,1,2,2-tetrafluoroethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide (PubChem CID 118376558) has the molecular formula C18H26F4N2O3S and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[4-[[3-(1,1,2,2-tetrafluoroethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[3-(1,1,2,2-tetrafluoroethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide
PubChem CID118376558
Molecular FormulaC18H26F4N2O3S
Molecular Weight426.48 g/mol
Exact Mass426.16
IUPAC NameN-[4-[[3-(1,1,2,2-tetrafluoroethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNc2cccc(OC(F)(F)C(F)F)c2)CC1
InChIInChI=1S/C18H26F4N2O3S/c1-12(2)28(25,26)24-14-8-6-13(7-9-14)11-23-15-4-3-5-16(10-15)27-18(21,22)17(19)20/h3-5,10,12-14,17,23-24H,6-9,11H2,1-2H3
InChIKeyABZWYTHVBWFTSM-UHFFFAOYSA-N
XLogP4.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminocyclohexyl)methyl]-3-(1,1,2,2-tetrafluoroethoxy)aniline
CID 59231322
N-[3-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]phenyl]acetamide
CID 70938922
N-[4-[[3-(cyanomethoxy)anilino]methyl]cyclohexyl]butane-2-sulfonamide
CID 70938968
N-[4-[[4-(2,5-dihydropyrrol-1-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 59230320
N-[4-[(4-thiophen-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70938861
N-[4-[[3-(cyclopropylmethoxy)-4-methylanilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 59230354
N-[4-[(1,3-benzoxazol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide
CID 59230270
N-[4-[(1H-indazol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70939655
N-[3-(trifluoromethoxy)phenyl]propane-2-sulfonamide
CID 63000026
N-[4-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70939329
N-[4-[[4-(2,6-dimethyloxan-4-yl)oxyanilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70939123
N-[4-[[3-fluoro-4-(pyrrolidine-1-carbonyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 59230303

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(1,1,2,2-tetrafluoroethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-[4-[[3-(1,1,2,2-tetrafluoroethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide (CID 118376558) is N-[4-[[3-(1,1,2,2-tetrafluoroethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[[3-(1,1,2,2-tetrafluoroethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[[3-(1,1,2,2-tetrafluoroethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCC(CNc2cccc(OC(F)(F)C(F)F)c2)CC1.
What is the InChIKey of N-[4-[[3-(1,1,2,2-tetrafluoroethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide?
The InChIKey is ABZWYTHVBWFTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F4N2O3S/c1-12(2)28(25,26)24-14-8-6-13(7-9-14)11-23-15-4-3-5-16(10-15)27-18(21,22)17(19)20/h3-5,10,12-14,17,23-24H,6-9,11H2,1-2H3.
What are the key properties of N-[4-[[3-(1,1,2,2-tetrafluoroethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide?
N-[4-[[3-(1,1,2,2-tetrafluoroethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 426.48 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(1,1,2,2-tetrafluoroethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 118376558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).