4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-2-methylbenzenesulfonamide

C18H22FN3O4S — CID 110397721

IUPAC4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H22FN3O4S/c1-14-13-15(19)4-5-17(14)27(24,25)20-6-7-21-8-10-22(11-9-21)18(23)16-3-2-12-26-16/h2-5,12-13,20H,6-11H2,1H3
InChIKeyLTSHXDLMFBVZOD-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.46
Rot. Bonds6

About 4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-2-methylbenzenesulfonamide

4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-2-methylbenzenesulfonamide (PubChem CID 110397721) has the molecular formula C18H22FN3O4S and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-2-methylbenzenesulfonamide
PubChem CID110397721
Molecular FormulaC18H22FN3O4S
Molecular Weight395.46 g/mol
Exact Mass395.13
IUPAC Name4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H22FN3O4S/c1-14-13-15(19)4-5-17(14)27(24,25)20-6-7-21-8-10-22(11-9-21)18(23)16-3-2-12-26-16/h2-5,12-13,20H,6-11H2,1H3
InChIKeyLTSHXDLMFBVZOD-UHFFFAOYSA-N
XLogP1.46
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide
CID 110397730
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 110397722
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 4051467
furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94897133
5-fluoro-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methylbenzenesulfonamide
CID 16944032
2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide
CID 110397647
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 113053722
3-(2,4-difluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030134
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4-fluoro-2-methylbenzenesulfonamide
CID 110371057
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
2-chloro-6-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]benzamide
CID 110397684

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-2-methylbenzenesulfonamide (CID 110397721) is 4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCCN1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-2-methylbenzenesulfonamide?
The InChIKey is LTSHXDLMFBVZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O4S/c1-14-13-15(19)4-5-17(14)27(24,25)20-6-7-21-8-10-22(11-9-21)18(23)16-3-2-12-26-16/h2-5,12-13,20H,6-11H2,1H3.
What are the key properties of 4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-2-methylbenzenesulfonamide?
4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-2-methylbenzenesulfonamide has a molecular weight of 395.46 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 110397721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).