4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)cyclohexyl]butanamide

C18H24F4N2O3S — CID 55517214

IUPAC4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)cyclohexyl]butanamide
SMILESCN(CCCC(=O)NC1CCCC(C(F)(F)F)C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H24F4N2O3S/c1-24(28(26,27)16-9-7-14(19)8-10-16)11-3-6-17(25)23-15-5-2-4-13(12-15)18(20,21)22/h7-10,13,15H,2-6,11-12H2,1H3,(H,23,25)
InChIKeyBANHTEYYIPMILV-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.46
Rot. Bonds7

About 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)cyclohexyl]butanamide

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)cyclohexyl]butanamide (PubChem CID 55517214) has the molecular formula C18H24F4N2O3S and a molecular weight of 424.46 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)cyclohexyl]butanamide
PubChem CID55517214
Molecular FormulaC18H24F4N2O3S
Molecular Weight424.46 g/mol
Exact Mass424.14
IUPAC Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)cyclohexyl]butanamide
SMILESCN(CCCC(=O)NC1CCCC(C(F)(F)F)C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H24F4N2O3S/c1-24(28(26,27)16-9-7-14(19)8-10-16)11-3-6-17(25)23-15-5-2-4-13(12-15)18(20,21)22/h7-10,13,15H,2-6,11-12H2,1H3,(H,23,25)
InChIKeyBANHTEYYIPMILV-UHFFFAOYSA-N
XLogP3.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 119455910
N-(4-ethylcyclohexyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 112816434
N-(2-adamantyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 78798978
2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 47021134
2-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]acetic acid
CID 119213131
N-(1-benzylpyrrolidin-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 46684557
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120554264
N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 124743858
N-(1-adamantylmethyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30847044
1-cyclobutyl-2-[2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl]guanidine
CID 122095877
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 24621442
1-[2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 56544353

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)cyclohexyl]butanamide (CID 55517214) is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)cyclohexyl]butanamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)cyclohexyl]butanamide is CN(CCCC(=O)NC1CCCC(C(F)(F)F)C1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
The InChIKey is BANHTEYYIPMILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F4N2O3S/c1-24(28(26,27)16-9-7-14(19)8-10-16)11-3-6-17(25)23-15-5-2-4-13(12-15)18(20,21)22/h7-10,13,15H,2-6,11-12H2,1H3,(H,23,25).
What are the key properties of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)cyclohexyl]butanamide has a molecular weight of 424.46 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)cyclohexyl]butanamide is sourced from PubChem (CID 55517214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).