2-[(2-fluorophenyl)sulfonylamino]-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

C16H25ClFN3O3S — CID 119530888

IUPAC2-[(2-fluorophenyl)sulfonylamino]-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCCCN(C(=O)C(C)NS(=O)(=O)c1ccccc1F)C1CCNC1.Cl
InChIInChI=1S/C16H24FN3O3S.ClH/c1-3-10-20(13-8-9-18-11-13)16(21)12(2)19-24(22,23)15-7-5-4-6-14(15)17;/h4-7,12-13,18-19H,3,8-11H2,1-2H3;1H
InChIKeyHRZNDOPUFBQMNM-UHFFFAOYSA-N
MW393.91 g/mol
LogP1.51
Rot. Bonds7

About 2-[(2-fluorophenyl)sulfonylamino]-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

2-[(2-fluorophenyl)sulfonylamino]-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119530888) has the molecular formula C16H25ClFN3O3S and a molecular weight of 393.91 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119530888
Molecular FormulaC16H25ClFN3O3S
Molecular Weight393.91 g/mol
Exact Mass393.13
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCCCN(C(=O)C(C)NS(=O)(=O)c1ccccc1F)C1CCNC1.Cl
InChIInChI=1S/C16H24FN3O3S.ClH/c1-3-10-20(13-8-9-18-11-13)16(21)12(2)19-24(22,23)15-7-5-4-6-14(15)17;/h4-7,12-13,18-19H,3,8-11H2,1-2H3;1H
InChIKeyHRZNDOPUFBQMNM-UHFFFAOYSA-N
XLogP1.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.91
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976534
3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532764
2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide;hydrochloride
CID 119387269
2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide
CID 119387270
N-propyl-N-pyrrolidin-3-yl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
CID 119531042
2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 120607586
2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530341
N-piperidin-4-yl-N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119824243
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
3-(4-fluorophenyl)sulfanyl-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530613
3-(4-fluorophenyl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbutanamide
CID 119530492
2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119531842

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119530888) is 2-[(2-fluorophenyl)sulfonylamino]-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is CCCN(C(=O)C(C)NS(=O)(=O)c1ccccc1F)C1CCNC1.Cl.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is HRZNDOPUFBQMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3S.ClH/c1-3-10-20(13-8-9-18-11-13)16(21)12(2)19-24(22,23)15-7-5-4-6-14(15)17;/h4-7,12-13,18-19H,3,8-11H2,1-2H3;1H.
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
2-[(2-fluorophenyl)sulfonylamino]-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 393.91 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylamino]-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119530888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).