1-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonamide

C11H11ClFN3O2S — CID 103051987

IUPAC1-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonamide
SMILESCc1nc(S(N)(=O)=O)cn1Cc1cc(Cl)ccc1F
InChIInChI=1S/C11H11ClFN3O2S/c1-7-15-11(19(14,17)18)6-16(7)5-8-4-9(12)2-3-10(8)13/h2-4,6H,5H2,1H3,(H2,14,17,18)
InChIKeyKEQMSVNTRSQXNM-UHFFFAOYSA-N
MW303.75 g/mol
LogP1.68
Rot. Bonds3

About 1-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonamide

1-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonamide (PubChem CID 103051987) has the molecular formula C11H11ClFN3O2S and a molecular weight of 303.75 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonamide
PubChem CID103051987
Molecular FormulaC11H11ClFN3O2S
Molecular Weight303.75 g/mol
Exact Mass303.02
IUPAC Name1-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonamide
SMILESCc1nc(S(N)(=O)=O)cn1Cc1cc(Cl)ccc1F
InChIInChI=1S/C11H11ClFN3O2S/c1-7-15-11(19(14,17)18)6-16(7)5-8-4-9(12)2-3-10(8)13/h2-4,6H,5H2,1H3,(H2,14,17,18)
InChIKeyKEQMSVNTRSQXNM-UHFFFAOYSA-N
XLogP1.68
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-sulfonamide
CID 81340078
1-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonyl chloride
CID 114857558
1-[(3-chlorophenyl)methyl]-2-methylimidazole-4-sulfonamide
CID 81340365
1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 81336915
1-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 106871058
1-[(3,4-difluorophenyl)methyl]-2-ethylimidazole-4-sulfonamide
CID 82935239
N-[3-(aminomethyl)-4-fluorophenyl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 62316776
5-amino-3-bromo-1-[(5-chloro-2-fluorophenyl)methyl]pyridin-2-one
CID 103046554
[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methanamine
CID 103050362
5-bromo-3-[(5-chloro-2-fluorophenyl)methyl]pyrimidin-4-one
CID 102974911
N-(2-bromo-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 81273250
N-(2-amino-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 62062819

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonamide?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonamide (CID 103051987) is 1-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonamide is Cc1nc(S(N)(=O)=O)cn1Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonamide?
The InChIKey is KEQMSVNTRSQXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O2S/c1-7-15-11(19(14,17)18)6-16(7)5-8-4-9(12)2-3-10(8)13/h2-4,6H,5H2,1H3,(H2,14,17,18).
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonamide?
1-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonamide has a molecular weight of 303.75 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 103051987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).