N-pyrrolidin-3-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide;hydrochloride

C14H19ClF3N3O4S — CID 119449677

IUPACN-pyrrolidin-3-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide;hydrochloride
SMILESCl.O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NC1CCNC1
InChIInChI=1S/C14H18F3N3O4S.ClH/c15-14(16,17)24-11-1-3-12(4-2-11)25(22,23)19-8-6-13(21)20-10-5-7-18-9-10;/h1-4,10,18-19H,5-9H2,(H,20,21);1H
InChIKeyDHEANDMEUAYIOD-UHFFFAOYSA-N
MW417.84 g/mol
LogP1.15
Rot. Bonds7

About N-pyrrolidin-3-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide;hydrochloride

N-pyrrolidin-3-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide;hydrochloride (PubChem CID 119449677) has the molecular formula C14H19ClF3N3O4S and a molecular weight of 417.84 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide;hydrochloride
PubChem CID119449677
Molecular FormulaC14H19ClF3N3O4S
Molecular Weight417.84 g/mol
Exact Mass417.07
IUPAC NameN-pyrrolidin-3-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide;hydrochloride
SMILESCl.O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NC1CCNC1
InChIInChI=1S/C14H18F3N3O4S.ClH/c15-14(16,17)24-11-1-3-12(4-2-11)25(22,23)19-8-6-13(21)20-10-5-7-18-9-10;/h1-4,10,18-19H,5-9H2,(H,20,21);1H
InChIKeyDHEANDMEUAYIOD-UHFFFAOYSA-N
XLogP1.15
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.84
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 56684941
3-[(4-nitrophenyl)sulfonylamino]-N-piperidin-3-ylpropanamide
CID 119425175
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119450802
3-(naphthalen-2-ylsulfonylamino)-N-piperidin-4-ylpropanamide
CID 119388771
N-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 126431501
N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 27648395
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-piperidin-3-ylpropanamide
CID 119428153
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 24545871
N-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
CID 119428190
N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 27658627
N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 119389033
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55376416

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide;hydrochloride?
The IUPAC name of N-pyrrolidin-3-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide;hydrochloride (CID 119449677) is N-pyrrolidin-3-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide;hydrochloride.
What is the SMILES notation for N-pyrrolidin-3-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide;hydrochloride?
The canonical SMILES for N-pyrrolidin-3-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide;hydrochloride is Cl.O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NC1CCNC1.
What is the InChIKey of N-pyrrolidin-3-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide;hydrochloride?
The InChIKey is DHEANDMEUAYIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O4S.ClH/c15-14(16,17)24-11-1-3-12(4-2-11)25(22,23)19-8-6-13(21)20-10-5-7-18-9-10;/h1-4,10,18-19H,5-9H2,(H,20,21);1H.
What are the key properties of N-pyrrolidin-3-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide;hydrochloride?
N-pyrrolidin-3-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide;hydrochloride has a molecular weight of 417.84 g/mol, XLogP of 1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide;hydrochloride is sourced from PubChem (CID 119449677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).