5-(4-fluorophenyl)sulfonyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylbenzenesulfonamide

C20H22FN3O4S2 — CID 57430282

IUPAC5-(4-fluorophenyl)sulfonyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)NCCn1ccnc1
InChIInChI=1S/C20H22FN3O4S2/c1-15(2)19-8-7-18(29(25,26)17-5-3-16(21)4-6-17)13-20(19)30(27,28)23-10-12-24-11-9-22-14-24/h3-9,11,13-15,23H,10,12H2,1-2H3
InChIKeyRKKPPGCGYOFAMW-UHFFFAOYSA-N
MW451.55 g/mol
LogP2.96
Rot. Bonds8

About 5-(4-fluorophenyl)sulfonyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylbenzenesulfonamide

5-(4-fluorophenyl)sulfonyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylbenzenesulfonamide (PubChem CID 57430282) has the molecular formula C20H22FN3O4S2 and a molecular weight of 451.55 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfonyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfonyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylbenzenesulfonamide
PubChem CID57430282
Molecular FormulaC20H22FN3O4S2
Molecular Weight451.55 g/mol
Exact Mass451.10
IUPAC Name5-(4-fluorophenyl)sulfonyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)NCCn1ccnc1
InChIInChI=1S/C20H22FN3O4S2/c1-15(2)19-8-7-18(29(25,26)17-5-3-16(21)4-6-17)13-20(19)30(27,28)23-10-12-24-11-9-22-14-24/h3-9,11,13-15,23H,10,12H2,1-2H3
InChIKeyRKKPPGCGYOFAMW-UHFFFAOYSA-N
XLogP2.96
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-fluorophenyl)sulfonyl-N-(2-hydroxypropyl)-2-propan-2-ylbenzenesulfonamide
CID 69116642
5-(benzenesulfonyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide
CID 25180445
2-(aminomethyl)-5-fluoro-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018063
4-fluoro-N-(2-imidazol-1-ylethyl)-3-methoxybenzenesulfonamide
CID 86818502
5-(3,4-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide
CID 57430289
4-fluoro-N-(2-imidazol-1-ylethyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106018108
4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61324479
5-(benzenesulfonyl)-N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzenesulfonamide
CID 57430295
2-fluoro-N-(2-imidazol-1-ylethyl)-4,5-dimethoxybenzenesulfonamide
CID 35309403
5-(4-fluorophenyl)sulfonyl-2-propan-2-ylbenzenesulfonyl chloride
CID 57430825
5-(2,3-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide
CID 57430299
3-amino-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide
CID 61325505

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)sulfonyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylbenzenesulfonamide?
The IUPAC name of 5-(4-fluorophenyl)sulfonyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylbenzenesulfonamide (CID 57430282) is 5-(4-fluorophenyl)sulfonyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-(4-fluorophenyl)sulfonyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 5-(4-fluorophenyl)sulfonyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)NCCn1ccnc1.
What is the InChIKey of 5-(4-fluorophenyl)sulfonyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylbenzenesulfonamide?
The InChIKey is RKKPPGCGYOFAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4S2/c1-15(2)19-8-7-18(29(25,26)17-5-3-16(21)4-6-17)13-20(19)30(27,28)23-10-12-24-11-9-22-14-24/h3-9,11,13-15,23H,10,12H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)sulfonyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylbenzenesulfonamide?
5-(4-fluorophenyl)sulfonyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylbenzenesulfonamide has a molecular weight of 451.55 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfonyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 57430282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).