2,6-dichloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide

C17H14Cl2FN3O2S — CID 24541169

IUPAC2,6-dichloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
SMILESCn1ccnc1C(NS(=O)(=O)c1c(Cl)cccc1Cl)c1cccc(F)c1
InChIInChI=1S/C17H14Cl2FN3O2S/c1-23-9-8-21-17(23)15(11-4-2-5-12(20)10-11)22-26(24,25)16-13(18)6-3-7-14(16)19/h2-10,15,22H,1H3
InChIKeyZDKBSDIQHWMQAT-UHFFFAOYSA-N
MW414.29 g/mol
LogP3.93
Rot. Bonds5

About 2,6-dichloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide

2,6-dichloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide (PubChem CID 24541169) has the molecular formula C17H14Cl2FN3O2S and a molecular weight of 414.29 g/mol. Its IUPAC name is 2,6-dichloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
PubChem CID24541169
Molecular FormulaC17H14Cl2FN3O2S
Molecular Weight414.29 g/mol
Exact Mass413.02
IUPAC Name2,6-dichloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
SMILESCn1ccnc1C(NS(=O)(=O)c1c(Cl)cccc1Cl)c1cccc(F)c1
InChIInChI=1S/C17H14Cl2FN3O2S/c1-23-9-8-21-17(23)15(11-4-2-5-12(20)10-11)22-26(24,25)16-13(18)6-3-7-14(16)19/h2-10,15,22H,1H3
InChIKeyZDKBSDIQHWMQAT-UHFFFAOYSA-N
XLogP3.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541241
3-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 17417989
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 40939702
5-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
CID 24541170
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-nitrobenzenesulfonamide
CID 46653973
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 24541159
2-chloro-4-fluoro-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 93233572
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014672
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-3-nitrobenzenesulfonamide
CID 55457463
N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzenesulfonamide
CID 40797952
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-sulfonamide
CID 42937633
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 46512947

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide (CID 24541169) is 2,6-dichloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide is Cn1ccnc1C(NS(=O)(=O)c1c(Cl)cccc1Cl)c1cccc(F)c1.
What is the InChIKey of 2,6-dichloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is ZDKBSDIQHWMQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2FN3O2S/c1-23-9-8-21-17(23)15(11-4-2-5-12(20)10-11)22-26(24,25)16-13(18)6-3-7-14(16)19/h2-10,15,22H,1H3.
What are the key properties of 2,6-dichloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
2,6-dichloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 414.29 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 24541169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).