N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide

C15H19F3N2O4S — CID 27658627

IUPACN-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C15H19F3N2O4S/c16-15(17,18)24-12-4-6-13(7-5-12)25(22,23)19-9-8-14(21)20-10-2-1-3-11-20/h4-7,19H,1-3,8-11H2
InChIKeyKVMCPERIFSUUMQ-UHFFFAOYSA-N
MW380.39 g/mol
LogP2.27
Rot. Bonds6

About N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide

N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 27658627) has the molecular formula C15H19F3N2O4S and a molecular weight of 380.39 g/mol. Its IUPAC name is N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID27658627
Molecular FormulaC15H19F3N2O4S
Molecular Weight380.39 g/mol
Exact Mass380.10
IUPAC NameN-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C15H19F3N2O4S/c16-15(17,18)24-12-4-6-13(7-5-12)25(22,23)19-9-8-14(21)20-10-2-1-3-11-20/h4-7,19H,1-3,8-11H2
InChIKeyKVMCPERIFSUUMQ-UHFFFAOYSA-N
XLogP2.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 5083215
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 26535145
4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 2236890
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9314922
N-pentyl-1-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]piperidine-4-carboxamide
CID 55838634
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8824051
N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119415385
N-[3-(piperidine-1-carbonyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55949978
4-nitro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17192841
N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 27648395
(3R)-1-[3-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-3-carboxylic acid
CID 94830904

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 27658627) is N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide is O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CCCCC1.
What is the InChIKey of N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is KVMCPERIFSUUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O4S/c16-15(17,18)24-12-4-6-13(7-5-12)25(22,23)19-9-8-14(21)20-10-2-1-3-11-20/h4-7,19H,1-3,8-11H2.
What are the key properties of N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 380.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 27658627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).