N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide

C22H26FN3O3S — CID 42818627

IUPACN-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2nccn2Cc2ccccc2F)CC(C)C)cc1
InChIInChI=1S/C22H26FN3O3S/c1-17(2)14-26(30(27,28)20-10-8-19(29-3)9-11-20)16-22-24-12-13-25(22)15-18-6-4-5-7-21(18)23/h4-13,17H,14-16H2,1-3H3
InChIKeyUSGQJEUJAQJDOK-UHFFFAOYSA-N
MW431.53 g/mol
LogP3.93
Rot. Bonds9

About N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide

N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 42818627) has the molecular formula C22H26FN3O3S and a molecular weight of 431.53 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
PubChem CID42818627
Molecular FormulaC22H26FN3O3S
Molecular Weight431.53 g/mol
Exact Mass431.17
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2nccn2Cc2ccccc2F)CC(C)C)cc1
InChIInChI=1S/C22H26FN3O3S/c1-17(2)14-26(30(27,28)20-10-8-19(29-3)9-11-20)16-22-24-12-13-25(22)15-18-6-4-5-7-21(18)23/h4-13,17H,14-16H2,1-3H3
InChIKeyUSGQJEUJAQJDOK-UHFFFAOYSA-N
XLogP3.93
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 42818630
4-methoxy-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 42819785
3-ethyl-1-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea
CID 42819600
N-ethyl-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropanamide
CID 42819212
3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 46139787
N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-[(4-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 46128360
2-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 42819195
2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82557938
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N-[2-[(4S)-4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 98423412
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 42841700
4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46152500

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide (CID 42818627) is N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(Cc2nccn2Cc2ccccc2F)CC(C)C)cc1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is USGQJEUJAQJDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3S/c1-17(2)14-26(30(27,28)20-10-8-19(29-3)9-11-20)16-22-24-12-13-25(22)15-18-6-4-5-7-21(18)23/h4-13,17H,14-16H2,1-3H3.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide?
N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 431.53 g/mol, XLogP of 3.93, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 42818627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).