2-fluoro-5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzenesulfonamide

C18H18FN3O3S — CID 75462718

IUPAC2-fluoro-5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2ccc(OCc3nccn3C)cc2)c1
InChIInChI=1S/C18H18FN3O3S/c1-13-3-8-16(19)17(11-13)26(23,24)21-14-4-6-15(7-5-14)25-12-18-20-9-10-22(18)2/h3-11,21H,12H2,1-2H3
InChIKeyQDLHUAOLWWMJKO-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.25
Rot. Bonds6

About 2-fluoro-5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzenesulfonamide

2-fluoro-5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzenesulfonamide (PubChem CID 75462718) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzenesulfonamide
PubChem CID75462718
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC Name2-fluoro-5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2ccc(OCc3nccn3C)cc2)c1
InChIInChI=1S/C18H18FN3O3S/c1-13-3-8-16(19)17(11-13)26(23,24)21-14-4-6-15(7-5-14)25-12-18-20-9-10-22(18)2/h3-11,21H,12H2,1-2H3
InChIKeyQDLHUAOLWWMJKO-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

3-[(4-fluorophenyl)sulfamoyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
CID 55855139
N'-[2-(4-methylanilino)acetyl]-4-[(1-methylimidazol-2-yl)methoxy]benzohydrazide
CID 56503242
N-(4-ethylsulfonylphenyl)-2-fluoro-5-methylbenzenesulfonamide
CID 60531678
2,6-dimethyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]quinoline-3-carboxamide
CID 55880971
2,5-dimethyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide
CID 16582018
1-(2,4-difluorophenyl)-3,5-dimethyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazole-4-carboxamide
CID 55968654
N-(3,4-difluorophenyl)-2-(1-methylimidazol-2-yl)acetamide
CID 110474626
2-(cyclopropylmethylamino)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 119858982
3-amino-2-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]butanamide;dihydrochloride
CID 120503212
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-enamide
CID 86998719
2-fluoro-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527506
2-fluoro-N-(3-fluoro-4-methylsulfinylphenyl)-5-methylbenzenesulfonamide
CID 71998236

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzenesulfonamide (CID 75462718) is 2-fluoro-5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)Nc2ccc(OCc3nccn3C)cc2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzenesulfonamide?
The InChIKey is QDLHUAOLWWMJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c1-13-3-8-16(19)17(11-13)26(23,24)21-14-4-6-15(7-5-14)25-12-18-20-9-10-22(18)2/h3-11,21H,12H2,1-2H3.
What are the key properties of 2-fluoro-5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzenesulfonamide?
2-fluoro-5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzenesulfonamide 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 2-fluoro-5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 75462718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).