N-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-dimethylimidazole-4-sulfonamide

C18H18FN3O3S — CID 167961495

IUPACN-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2cccc(OCc3cccc(F)c3)c2)cn1C
InChIInChI=1S/C18H18FN3O3S/c1-13-20-18(11-22(13)2)26(23,24)21-16-7-4-8-17(10-16)25-12-14-5-3-6-15(19)9-14/h3-11,21H,12H2,1-2H3
InChIKeyKOHBKVZMSIGMNV-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.25
Rot. Bonds6

About N-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-dimethylimidazole-4-sulfonamide

N-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 167961495) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-dimethylimidazole-4-sulfonamide
PubChem CID167961495
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC NameN-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2cccc(OCc3cccc(F)c3)c2)cn1C
InChIInChI=1S/C18H18FN3O3S/c1-13-20-18(11-22(13)2)26(23,24)21-16-7-4-8-17(10-16)25-12-14-5-3-6-15(19)9-14/h3-11,21H,12H2,1-2H3
InChIKeyKOHBKVZMSIGMNV-UHFFFAOYSA-N
XLogP3.25
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylimidazole-4-sulfonamide
CID 134006766
N-[3-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propoxy]phenyl]acetamide
CID 2810841
1,2-dimethyl-N-(4-methylphenyl)imidazole-4-sulfonamide
CID 53008183
N-[4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110359990
N-[4-(2-chloroethyl)phenyl]-1,2-dimethylimidazole-4-sulfonamide
CID 65031315
1,2-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
CID 47092092
N-(3-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62066248
2-amino-5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]pyridine-3-sulfonamide
CID 166328062
3-(2-aminoethyl)-7-[(3-fluorophenyl)methoxy]-2-methylquinazolin-4-one
CID 10338834
N-[2-fluoro-6-(propylamino)phenyl]-1,2-dimethylimidazole-4-sulfonamide
CID 75472963
3-[(3-fluorophenyl)methoxy]pyridine
CID 18758418
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-dimethylimidazole-4-sulfonamide (CID 167961495) is N-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)Nc2cccc(OCc3cccc(F)c3)c2)cn1C.
What is the InChIKey of N-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is KOHBKVZMSIGMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c1-13-20-18(11-22(13)2)26(23,24)21-16-7-4-8-17(10-16)25-12-14-5-3-6-15(19)9-14/h3-11,21H,12H2,1-2H3.
What are the key properties of N-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-dimethylimidazole-4-sulfonamide?
N-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 375.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 167961495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).