5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylimidazole-4-sulfonamide

C17H15ClFN3O3S — CID 134006766

IUPAC5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c1Cl
InChIInChI=1S/C17H15ClFN3O3S/c1-22-11-20-17(16(22)18)26(23,24)21-14-3-2-4-15(9-14)25-10-12-5-7-13(19)8-6-12/h2-9,11,21H,10H2,1H3
InChIKeyNPCUMXGHUGOAPE-UHFFFAOYSA-N
MW395.84 g/mol
LogP3.59
Rot. Bonds6

About 5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylimidazole-4-sulfonamide

5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylimidazole-4-sulfonamide (PubChem CID 134006766) has the molecular formula C17H15ClFN3O3S and a molecular weight of 395.84 g/mol. Its IUPAC name is 5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylimidazole-4-sulfonamide
PubChem CID134006766
Molecular FormulaC17H15ClFN3O3S
Molecular Weight395.84 g/mol
Exact Mass395.05
IUPAC Name5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c1Cl
InChIInChI=1S/C17H15ClFN3O3S/c1-22-11-20-17(16(22)18)26(23,24)21-14-3-2-4-15(9-14)25-10-12-5-7-13(19)8-6-12/h2-9,11,21H,10H2,1H3
InChIKeyNPCUMXGHUGOAPE-UHFFFAOYSA-N
XLogP3.59
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(3,5-difluorophenyl)-1-methylimidazole-4-sulfonamide
CID 43415229
5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide
CID 43415224
2-amino-5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]pyridine-3-sulfonamide
CID 166328062
5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide
CID 60747502
3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide
CID 60747411
5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide
CID 46594182
5-chloro-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-methylimidazole-4-sulfonamide
CID 42961971
N-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-dimethylimidazole-4-sulfonamide
CID 167961495
2,6-dichloro-N-(3-phenylmethoxyphenyl)benzenesulfonamide
CID 122187088
N-[3-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 166335528
methyl 2-chloro-5-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzoate
CID 134007714
5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide
CID 134006747

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylimidazole-4-sulfonamide (CID 134006766) is 5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c1Cl.
What is the InChIKey of 5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is NPCUMXGHUGOAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O3S/c1-22-11-20-17(16(22)18)26(23,24)21-14-3-2-4-15(9-14)25-10-12-5-7-13(19)8-6-12/h2-9,11,21H,10H2,1H3.
What are the key properties of 5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylimidazole-4-sulfonamide?
5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 395.84 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 134006766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).