5-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide

C15H13ClFN3O2S2 — CID 24541170

IUPAC5-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
SMILESCn1ccnc1C(NS(=O)(=O)c1ccc(Cl)s1)c1cccc(F)c1
InChIInChI=1S/C15H13ClFN3O2S2/c1-20-8-7-18-15(20)14(10-3-2-4-11(17)9-10)19-24(21,22)13-6-5-12(16)23-13/h2-9,14,19H,1H3
InChIKeyAVIYXIBTICNULD-UHFFFAOYSA-N
MW385.87 g/mol
LogP3.34
Rot. Bonds5

About 5-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide

5-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 24541170) has the molecular formula C15H13ClFN3O2S2 and a molecular weight of 385.87 g/mol. Its IUPAC name is 5-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID24541170
Molecular FormulaC15H13ClFN3O2S2
Molecular Weight385.87 g/mol
Exact Mass385.01
IUPAC Name5-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
SMILESCn1ccnc1C(NS(=O)(=O)c1ccc(Cl)s1)c1cccc(F)c1
InChIInChI=1S/C15H13ClFN3O2S2/c1-20-8-7-18-15(20)14(10-3-2-4-11(17)9-10)19-24(21,22)13-6-5-12(16)23-13/h2-9,14,19H,1H3
InChIKeyAVIYXIBTICNULD-UHFFFAOYSA-N
XLogP3.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dichloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541169
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
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 24541159
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-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-sulfonamide
CID 42937633
2-chloro-4-fluoro-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 93233572
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
CID 51274932
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
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
CID 17416898

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide (CID 24541170) is 5-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide is Cn1ccnc1C(NS(=O)(=O)c1ccc(Cl)s1)c1cccc(F)c1.
What is the InChIKey of 5-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is AVIYXIBTICNULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O2S2/c1-20-8-7-18-15(20)14(10-3-2-4-11(17)9-10)19-24(21,22)13-6-5-12(16)23-13/h2-9,14,19H,1H3.
What are the key properties of 5-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide?
5-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 385.87 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 24541170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).