N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]azepane-1-sulfonamide

C17H23FN4O2S — CID 18148569

IUPACN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]azepane-1-sulfonamide
SMILESCn1ccnc1C(NS(=O)(=O)N1CCCCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H23FN4O2S/c1-21-13-10-19-17(21)16(14-6-8-15(18)9-7-14)20-25(23,24)22-11-4-2-3-5-12-22/h6-10,13,16,20H,2-5,11-12H2,1H3
InChIKeyAJAUTPHLQAMUAV-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.36
Rot. Bonds5

About N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]azepane-1-sulfonamide

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]azepane-1-sulfonamide (PubChem CID 18148569) has the molecular formula C17H23FN4O2S and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]azepane-1-sulfonamide
PubChem CID18148569
Molecular FormulaC17H23FN4O2S
Molecular Weight366.46 g/mol
Exact Mass366.15
IUPAC NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]azepane-1-sulfonamide
SMILESCn1ccnc1C(NS(=O)(=O)N1CCCCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H23FN4O2S/c1-21-13-10-19-17(21)16(14-6-8-15(18)9-7-14)20-25(23,24)22-11-4-2-3-5-12-22/h6-10,13,16,20H,2-5,11-12H2,1H3
InChIKeyAJAUTPHLQAMUAV-UHFFFAOYSA-N
XLogP2.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25350052
2-[(S)-(diethylsulfamoylamino)-(4-fluorophenyl)methyl]-1-methylimidazole
CID 31080259
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-sulfonamide
CID 42937633
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55633450
4-cyclohexyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541144
2-chloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanesulfonamide
CID 107650683
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 40939712
2-chloro-4-fluoro-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 93233572
[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105192712
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 40797862
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 25341765
(3R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 98682472

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]azepane-1-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]azepane-1-sulfonamide (CID 18148569) is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]azepane-1-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]azepane-1-sulfonamide is Cn1ccnc1C(NS(=O)(=O)N1CCCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]azepane-1-sulfonamide?
The InChIKey is AJAUTPHLQAMUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2S/c1-21-13-10-19-17(21)16(14-6-8-15(18)9-7-14)20-25(23,24)22-11-4-2-3-5-12-22/h6-10,13,16,20H,2-5,11-12H2,1H3.
What are the key properties of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]azepane-1-sulfonamide?
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]azepane-1-sulfonamide has a molecular weight of 366.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]azepane-1-sulfonamide is sourced from PubChem (CID 18148569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).