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

C18H18FN3O2S — CID 100691010

IUPAC4-fluoro-2-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1ccc(-n2ccnc2C)cc1
InChIInChI=1S/C18H18FN3O2S/c1-13-11-16(19)5-8-18(13)25(23,24)21-12-15-3-6-17(7-4-15)22-10-9-20-14(22)2/h3-11,21H,12H2,1-2H3
InChIKeyKMPKWIRUCDONEC-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.11
Rot. Bonds5

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

4-fluoro-2-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 100691010) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
PubChem CID100691010
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name4-fluoro-2-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1ccc(-n2ccnc2C)cc1
InChIInChI=1S/C18H18FN3O2S/c1-13-11-16(19)5-8-18(13)25(23,24)21-12-15-3-6-17(7-4-15)22-10-9-20-14(22)2/h3-11,21H,12H2,1-2H3
InChIKeyKMPKWIRUCDONEC-UHFFFAOYSA-N
XLogP3.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(4-imidazol-1-ylphenyl)methyl]-2-methylbenzenesulfonamide
CID 95176032
4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide
CID 110672303
4-chloro-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 55906894
4-fluoro-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide
CID 84599040
5-bromo-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiophene-2-sulfonamide
CID 92686097
N-(6-chlorohexyl)-4-fluoro-2-methylbenzenesulfonamide
CID 114008823
1-(2-chloro-6-fluorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide
CID 99951684
2,5-difluoro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205165
1-(2,4-dichlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide
CID 92674136
4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716621
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
4-methoxy-2,5-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 51121171

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide (CID 100691010) is 4-fluoro-2-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(-n2ccnc2C)cc1.
What is the InChIKey of 4-fluoro-2-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is KMPKWIRUCDONEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-13-11-16(19)5-8-18(13)25(23,24)21-12-15-3-6-17(7-4-15)22-10-9-20-14(22)2/h3-11,21H,12H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 359.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 100691010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).