N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-sulfonamide

C15H19FN4O3S — CID 42937633

IUPACN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-sulfonamide
SMILESCn1ccnc1C(NS(=O)(=O)N1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C15H19FN4O3S/c1-19-6-5-17-15(19)14(12-3-2-4-13(16)11-12)18-24(21,22)20-7-9-23-10-8-20/h2-6,11,14,18H,7-10H2,1H3
InChIKeyZPEZJGCYDIYEOX-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.82
Rot. Bonds5

About N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-sulfonamide

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-sulfonamide (PubChem CID 42937633) has the molecular formula C15H19FN4O3S and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-sulfonamide
PubChem CID42937633
Molecular FormulaC15H19FN4O3S
Molecular Weight354.41 g/mol
Exact Mass354.12
IUPAC NameN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-sulfonamide
SMILESCn1ccnc1C(NS(=O)(=O)N1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C15H19FN4O3S/c1-19-6-5-17-15(19)14(12-3-2-4-13(16)11-12)18-24(21,22)20-7-9-23-10-8-20/h2-6,11,14,18H,7-10H2,1H3
InChIKeyZPEZJGCYDIYEOX-UHFFFAOYSA-N
XLogP0.82
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]azepane-1-sulfonamide
CID 18148569
2,6-dichloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541169
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 40939702
3-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 17417989
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]morpholine-4-sulfonamide
CID 125445339
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 46513046
5-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
CID 24541170
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-nitrobenzenesulfonamide
CID 46653973
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 24541159
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 25341762
1-acetyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 27690770
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25406619

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-sulfonamide?
The IUPAC name of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-sulfonamide (CID 42937633) is N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-sulfonamide is Cn1ccnc1C(NS(=O)(=O)N1CCOCC1)c1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-sulfonamide?
The InChIKey is ZPEZJGCYDIYEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O3S/c1-19-6-5-17-15(19)14(12-3-2-4-13(16)11-12)18-24(21,22)20-7-9-23-10-8-20/h2-6,11,14,18H,7-10H2,1H3.
What are the key properties of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-sulfonamide?
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-sulfonamide has a molecular weight of 354.41 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-sulfonamide is sourced from PubChem (CID 42937633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).