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

C17H14ClF2N3O2S — CID 93233572

IUPAC2-chloro-4-fluoro-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
SMILESCn1ccnc1[C@H](NS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C17H14ClF2N3O2S/c1-23-9-8-21-17(23)16(11-2-4-12(19)5-3-11)22-26(24,25)15-7-6-13(20)10-14(15)18/h2-10,16,22H,1H3/t16-/m1/s1
InChIKeySUTKORZHPCCRBR-MRXNPFEDSA-N
MW397.83 g/mol
LogP3.42
Rot. Bonds5

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

2-chloro-4-fluoro-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide (PubChem CID 93233572) has the molecular formula C17H14ClF2N3O2S and a molecular weight of 397.83 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
PubChem CID93233572
Molecular FormulaC17H14ClF2N3O2S
Molecular Weight397.83 g/mol
Exact Mass397.05
IUPAC Name2-chloro-4-fluoro-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
SMILESCn1ccnc1[C@H](NS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C17H14ClF2N3O2S/c1-23-9-8-21-17(23)16(11-2-4-12(19)5-3-11)22-26(24,25)15-7-6-13(20)10-14(15)18/h2-10,16,22H,1H3/t16-/m1/s1
InChIKeySUTKORZHPCCRBR-MRXNPFEDSA-N
XLogP3.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25350052
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 40939712
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 40797862
2,6-dichloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541169
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 40939702
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]methanesulfonamide
CID 56513263
2-chloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanesulfonamide
CID 107650683
3-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 17417989
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 42924736
2-[(S)-(diethylsulfamoylamino)-(4-fluorophenyl)methyl]-1-methylimidazole
CID 31080259
4-cyclohexyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541144
2-bromo-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25345807

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide (CID 93233572) is 2-chloro-4-fluoro-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide is Cn1ccnc1[C@H](NS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of 2-chloro-4-fluoro-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is SUTKORZHPCCRBR-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H14ClF2N3O2S/c1-23-9-8-21-17(23)16(11-2-4-12(19)5-3-11)22-26(24,25)15-7-6-13(20)10-14(15)18/h2-10,16,22H,1H3/t16-/m1/s1.
What are the key properties of 2-chloro-4-fluoro-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
2-chloro-4-fluoro-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 397.83 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 93233572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).