N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide

C17H17F3N2O4S — CID 31817197

IUPACN-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ccoc1)N1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H17F3N2O4S/c18-17(19,20)13-1-3-15(4-2-13)27(24,25)21-14-5-8-22(9-6-14)16(23)12-7-10-26-11-12/h1-4,7,10-11,14,21H,5-6,8-9H2
InChIKeyOGXUDJGBJGWXCV-UHFFFAOYSA-N
MW402.39 g/mol
LogP2.88
Rot. Bonds4

About N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide

N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 31817197) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID31817197
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ccoc1)N1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H17F3N2O4S/c18-17(19,20)13-1-3-15(4-2-13)27(24,25)21-14-5-8-22(9-6-14)16(23)12-7-10-26-11-12/h1-4,7,10-11,14,21H,5-6,8-9H2
InChIKeyOGXUDJGBJGWXCV-UHFFFAOYSA-N
XLogP2.88
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 50823789
4-ethyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 108567273
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 55702827
N-cyclopropyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 17482943
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55542508
4-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26701623
N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508335
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108565613
1-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]methanesulfonamide
CID 31817470
4-fluoro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521856
2,5-dimethyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 108567274
N-cyclopropyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 46628428

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide (CID 31817197) is N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide is O=C(c1ccoc1)N1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is OGXUDJGBJGWXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c18-17(19,20)13-1-3-15(4-2-13)27(24,25)21-14-5-8-22(9-6-14)16(23)12-7-10-26-11-12/h1-4,7,10-11,14,21H,5-6,8-9H2.
What are the key properties of N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide?
N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 402.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 31817197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).