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

C13H15ClFN3O2S — CID 107650683

IUPAC2-chloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanesulfonamide
SMILESCn1ccnc1C(NS(=O)(=O)CCCl)c1ccc(F)cc1
InChIInChI=1S/C13H15ClFN3O2S/c1-18-8-7-16-13(18)12(17-21(19,20)9-6-14)10-2-4-11(15)5-3-10/h2-5,7-8,12,17H,6,9H2,1H3
InChIKeyHUKYUJIWIPNFTQ-UHFFFAOYSA-N
MW331.80 g/mol
LogP1.81
Rot. Bonds6

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

2-chloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanesulfonamide (PubChem CID 107650683) has the molecular formula C13H15ClFN3O2S and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-chloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanesulfonamide
PubChem CID107650683
Molecular FormulaC13H15ClFN3O2S
Molecular Weight331.80 g/mol
Exact Mass331.06
IUPAC Name2-chloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanesulfonamide
SMILESCn1ccnc1C(NS(=O)(=O)CCCl)c1ccc(F)cc1
InChIInChI=1S/C13H15ClFN3O2S/c1-18-8-7-16-13(18)12(17-21(19,20)9-6-14)10-2-4-11(15)5-3-10/h2-5,7-8,12,17H,6,9H2,1H3
InChIKeyHUKYUJIWIPNFTQ-UHFFFAOYSA-N
XLogP1.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]methanesulfonamide
CID 56513263
4-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25350052
2-[(S)-(diethylsulfamoylamino)-(4-fluorophenyl)methyl]-1-methylimidazole
CID 31080259
2-chloro-4-fluoro-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 93233572
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 40939712
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]azepane-1-sulfonamide
CID 18148569
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]butane-1-sulfonamide
CID 94499205
[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105192712
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 40797862
2-[(4-chlorophenyl)-(diethylsulfamoylamino)methyl]-1-methylimidazole
CID 46511184
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide
CID 51331957
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide
CID 110429258

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanesulfonamide (CID 107650683) is 2-chloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanesulfonamide is Cn1ccnc1C(NS(=O)(=O)CCCl)c1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanesulfonamide?
The InChIKey is HUKYUJIWIPNFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3O2S/c1-18-8-7-16-13(18)12(17-21(19,20)9-6-14)10-2-4-11(15)5-3-10/h2-5,7-8,12,17H,6,9H2,1H3.
What are the key properties of 2-chloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanesulfonamide?
2-chloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanesulfonamide has a molecular weight of 331.80 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 107650683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).