N-[4-[[4-(trifluoromethoxy)anilino]carbamoyl]cyclohexyl]propane-2-sulfonamide

C17H24F3N3O4S — CID 24811032

IUPACN-[4-[[4-(trifluoromethoxy)anilino]carbamoyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(C(=O)NNc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C17H24F3N3O4S/c1-11(2)28(25,26)23-14-5-3-12(4-6-14)16(24)22-21-13-7-9-15(10-8-13)27-17(18,19)20/h7-12,14,21,23H,3-6H2,1-2H3,(H,22,24)
InChIKeyAYHBTTSIJFCJQF-UHFFFAOYSA-N
MW423.46 g/mol
LogP2.91
Rot. Bonds7

About N-[4-[[4-(trifluoromethoxy)anilino]carbamoyl]cyclohexyl]propane-2-sulfonamide

N-[4-[[4-(trifluoromethoxy)anilino]carbamoyl]cyclohexyl]propane-2-sulfonamide (PubChem CID 24811032) has the molecular formula C17H24F3N3O4S and a molecular weight of 423.46 g/mol. Its IUPAC name is N-[4-[[4-(trifluoromethoxy)anilino]carbamoyl]cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[4-(trifluoromethoxy)anilino]carbamoyl]cyclohexyl]propane-2-sulfonamide
PubChem CID24811032
Molecular FormulaC17H24F3N3O4S
Molecular Weight423.46 g/mol
Exact Mass423.14
IUPAC NameN-[4-[[4-(trifluoromethoxy)anilino]carbamoyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(C(=O)NNc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C17H24F3N3O4S/c1-11(2)28(25,26)23-14-5-3-12(4-6-14)16(24)22-21-13-7-9-15(10-8-13)27-17(18,19)20/h7-12,14,21,23H,3-6H2,1-2H3,(H,22,24)
InChIKeyAYHBTTSIJFCJQF-UHFFFAOYSA-N
XLogP2.91
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630584
N-[4-(trifluoromethoxy)phenyl]propane-2-sulfonamide
CID 62999818
N-[4-[[[4-(trifluoromethoxy)anilino]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 30886215
N'-[4-(trifluoromethoxy)phenyl]acetohydrazide;hydrochloride
CID 175311511
4-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexane-1-carboxamide
CID 20630750
N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20629868
1-[4-(4-acetylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)anilino]urea
CID 59053948
N-cyclopropyl-4-[2-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]hydrazinyl]benzenesulfonamide
CID 56502621
1-(2-methylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 123293205
N-methyl-1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide
CID 42927395
N-(3,4-diethoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20629662
N-[4-[acetyl(methyl)amino]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630364

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(trifluoromethoxy)anilino]carbamoyl]cyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-[4-[[4-(trifluoromethoxy)anilino]carbamoyl]cyclohexyl]propane-2-sulfonamide (CID 24811032) is N-[4-[[4-(trifluoromethoxy)anilino]carbamoyl]cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[[4-(trifluoromethoxy)anilino]carbamoyl]cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[[4-(trifluoromethoxy)anilino]carbamoyl]cyclohexyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCC(C(=O)NNc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N-[4-[[4-(trifluoromethoxy)anilino]carbamoyl]cyclohexyl]propane-2-sulfonamide?
The InChIKey is AYHBTTSIJFCJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O4S/c1-11(2)28(25,26)23-14-5-3-12(4-6-14)16(24)22-21-13-7-9-15(10-8-13)27-17(18,19)20/h7-12,14,21,23H,3-6H2,1-2H3,(H,22,24).
What are the key properties of N-[4-[[4-(trifluoromethoxy)anilino]carbamoyl]cyclohexyl]propane-2-sulfonamide?
N-[4-[[4-(trifluoromethoxy)anilino]carbamoyl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 423.46 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(trifluoromethoxy)anilino]carbamoyl]cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 24811032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).