N-cyclohexyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide

C24H28FN3O2S — CID 42819771

IUPACN-cyclohexyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2nccn2Cc2ccc(F)cc2)C2CCCCC2)cc1
InChIInChI=1S/C24H28FN3O2S/c1-19-7-13-23(14-8-19)31(29,30)28(22-5-3-2-4-6-22)18-24-26-15-16-27(24)17-20-9-11-21(25)12-10-20/h7-16,22H,2-6,17-18H2,1H3
InChIKeyJGRMTFVPPCNUTL-UHFFFAOYSA-N
MW441.57 g/mol
LogP4.90
Rot. Bonds7

About N-cyclohexyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide

N-cyclohexyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 42819771) has the molecular formula C24H28FN3O2S and a molecular weight of 441.57 g/mol. Its IUPAC name is N-cyclohexyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID42819771
Molecular FormulaC24H28FN3O2S
Molecular Weight441.57 g/mol
Exact Mass441.19
IUPAC NameN-cyclohexyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2nccn2Cc2ccc(F)cc2)C2CCCCC2)cc1
InChIInChI=1S/C24H28FN3O2S/c1-19-7-13-23(14-8-19)31(29,30)28(22-5-3-2-4-6-22)18-24-26-15-16-27(24)17-20-9-11-21(25)12-10-20/h7-16,22H,2-6,17-18H2,1H3
InChIKeyJGRMTFVPPCNUTL-UHFFFAOYSA-N
XLogP4.90
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide
CID 42819766
N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide
CID 42819974
N-[4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]acetamide
CID 9356254
N-cyclopropyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-4-methylbenzenesulfonamide
CID 42826125
N-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide
CID 28708327
N-cyclopropyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide
CID 42819347
N-cyclopropyl-4-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42820527
2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate
CID 2095447
N-[(2R)-2-chloro-2-(4-methylphenyl)ethyl]-N-cyclohexyl-4-methylbenzenesulfonamide
CID 155937368
N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide
CID 63765049
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 31075628
N-cyclopentyl-4-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 78982767

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide (CID 42819771) is N-cyclohexyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2nccn2Cc2ccc(F)cc2)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is JGRMTFVPPCNUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2S/c1-19-7-13-23(14-8-19)31(29,30)28(22-5-3-2-4-6-22)18-24-26-15-16-27(24)17-20-9-11-21(25)12-10-20/h7-16,22H,2-6,17-18H2,1H3.
What are the key properties of N-cyclohexyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide?
N-cyclohexyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 441.57 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 42819771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).