4-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide

C17H15ClFN3O2S — CID 18109066

IUPAC4-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
SMILESCn1ccnc1C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C17H15ClFN3O2S/c1-22-11-10-20-17(22)16(14-4-2-3-5-15(14)19)21-25(23,24)13-8-6-12(18)7-9-13/h2-11,16,21H,1H3
InChIKeyJVTFOCXILMALBP-UHFFFAOYSA-N
MW379.84 g/mol
LogP3.28
Rot. Bonds5

About 4-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide

4-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide (PubChem CID 18109066) has the molecular formula C17H15ClFN3O2S and a molecular weight of 379.84 g/mol. Its IUPAC name is 4-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
PubChem CID18109066
Molecular FormulaC17H15ClFN3O2S
Molecular Weight379.84 g/mol
Exact Mass379.06
IUPAC Name4-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
SMILESCn1ccnc1C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C17H15ClFN3O2S/c1-22-11-10-20-17(22)16(14-4-2-3-5-15(14)19)21-25(23,24)13-8-6-12(18)7-9-13/h2-11,16,21H,1H3
InChIKeyJVTFOCXILMALBP-UHFFFAOYSA-N
XLogP3.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 46452551
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 41023767
4-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25350052
1-(4-chlorophenyl)-3-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 17489943
1-(4-chlorophenyl)-3-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41430473
6-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 166341405
1-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-N,4-N-diethylbenzene-1,4-disulfonamide
CID 24541093
5-bromo-2-ethoxy-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541192
methyl 4-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]benzoate
CID 25352670
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 40939702
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 40939712
2-bromo-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25345807

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide (CID 18109066) is 4-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide is Cn1ccnc1C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1F.
What is the InChIKey of 4-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is JVTFOCXILMALBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2S/c1-22-11-10-20-17(22)16(14-4-2-3-5-15(14)19)21-25(23,24)13-8-6-12(18)7-9-13/h2-11,16,21H,1H3.
What are the key properties of 4-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
4-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 379.84 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 18109066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).