3-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide

C17H15ClFN3O2S — CID 17417989

IUPAC3-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
SMILESCn1ccnc1C(NS(=O)(=O)c1cccc(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C17H15ClFN3O2S/c1-22-9-8-20-17(22)16(12-4-2-6-14(19)10-12)21-25(23,24)15-7-3-5-13(18)11-15/h2-11,16,21H,1H3
InChIKeyQKYHWMJNOJFZCR-UHFFFAOYSA-N
MW379.84 g/mol
LogP3.28
Rot. Bonds5

About 3-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide

3-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide (PubChem CID 17417989) has the molecular formula C17H15ClFN3O2S and a molecular weight of 379.84 g/mol. Its IUPAC name is 3-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
PubChem CID17417989
Molecular FormulaC17H15ClFN3O2S
Molecular Weight379.84 g/mol
Exact Mass379.06
IUPAC Name3-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
SMILESCn1ccnc1C(NS(=O)(=O)c1cccc(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C17H15ClFN3O2S/c1-22-9-8-20-17(22)16(12-4-2-6-14(19)10-12)21-25(23,24)15-7-3-5-13(18)11-15/h2-11,16,21H,1H3
InChIKeyQKYHWMJNOJFZCR-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-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 40939702
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 24541159
2,6-dichloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541169
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]-4-methyl-3-nitrobenzenesulfonamide
CID 55457463
N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzenesulfonamide
CID 40797952
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 46512947
1-acetyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 27690770
2-chloro-4-fluoro-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 93233572
1-(3-chlorophenyl)-3-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41036758
4-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25350052

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide (CID 17417989) is 3-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide is Cn1ccnc1C(NS(=O)(=O)c1cccc(Cl)c1)c1cccc(F)c1.
What is the InChIKey of 3-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is QKYHWMJNOJFZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2S/c1-22-9-8-20-17(22)16(12-4-2-6-14(19)10-12)21-25(23,24)15-7-3-5-13(18)11-15/h2-11,16,21H,1H3.
What are the key properties of 3-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
3-chloro-N-[(3-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 3-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 17417989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).