N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexyl]propane-2-sulfonamide

C18H27F3N2O2S — CID 70939187

IUPACN-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H27F3N2O2S/c1-13(2)26(24,25)23-17-9-5-15(6-10-17)12-22-11-14-3-7-16(8-4-14)18(19,20)21/h3-4,7-8,13,15,17,22-23H,5-6,9-12H2,1-2H3
InChIKeyHITNRIDBTLZWFV-UHFFFAOYSA-N
MW392.49 g/mol
LogP3.68
Rot. Bonds7

About N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexyl]propane-2-sulfonamide

N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexyl]propane-2-sulfonamide (PubChem CID 70939187) has the molecular formula C18H27F3N2O2S and a molecular weight of 392.49 g/mol. Its IUPAC name is N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexyl]propane-2-sulfonamide
PubChem CID70939187
Molecular FormulaC18H27F3N2O2S
Molecular Weight392.49 g/mol
Exact Mass392.17
IUPAC NameN-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H27F3N2O2S/c1-13(2)26(24,25)23-17-9-5-15(6-10-17)12-22-11-14-3-7-16(8-4-14)18(19,20)21/h3-4,7-8,13,15,17,22-23H,5-6,9-12H2,1-2H3
InChIKeyHITNRIDBTLZWFV-UHFFFAOYSA-N
XLogP3.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 61208893
N-[4-[(isoquinolin-1-ylmethylamino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70939009
N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939828
N-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine
CID 43317309
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide
CID 4637501
4-(cyclopropylmethylamino)-3-[4-(trifluoromethyl)phenyl]butan-2-one;ethane
CID 143607227
N-[4-[[3-(1,1,2,2-tetrafluoroethoxy)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 118376558
N-[4-[[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70939049
N-[3-[[4-(propan-2-ylsulfonylamino)cyclohexyl]methylamino]phenyl]acetamide
CID 70938922
N-[4-[[4-(3,5-dimethylcyclohexyl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70939085
1-(1-methylpyrrolidin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 103626362

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexyl]propane-2-sulfonamide (CID 70939187) is N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCC(CNCc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexyl]propane-2-sulfonamide?
The InChIKey is HITNRIDBTLZWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N2O2S/c1-13(2)26(24,25)23-17-9-5-15(6-10-17)12-22-11-14-3-7-16(8-4-14)18(19,20)21/h3-4,7-8,13,15,17,22-23H,5-6,9-12H2,1-2H3.
What are the key properties of N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexyl]propane-2-sulfonamide?
N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 392.49 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 70939187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).