4,4-difluoro-N-[[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C17H24ClF2N3O3S — CID 120955206

IUPAC4,4-difluoro-N-[[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)C1CC(F)(F)CN1
InChIInChI=1S/C17H23F2N3O3S.ClH/c18-17(19)9-15(21-12-17)16(23)20-10-13-5-1-2-6-14(13)11-26(24,25)22-7-3-4-8-22;/h1-2,5-6,15,21H,3-4,7-12H2,(H,20,23);1H
InChIKeyXRGWLHDUODQHLL-UHFFFAOYSA-N
MW423.91 g/mol
LogP1.65
Rot. Bonds6

About 4,4-difluoro-N-[[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

4,4-difluoro-N-[[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120955206) has the molecular formula C17H24ClF2N3O3S and a molecular weight of 423.91 g/mol. Its IUPAC name is 4,4-difluoro-N-[[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4,4-difluoro-N-[[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID120955206
Molecular FormulaC17H24ClF2N3O3S
Molecular Weight423.91 g/mol
Exact Mass423.12
IUPAC Name4,4-difluoro-N-[[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)C1CC(F)(F)CN1
InChIInChI=1S/C17H23F2N3O3S.ClH/c18-17(19)9-15(21-12-17)16(23)20-10-13-5-1-2-6-14(13)11-26(24,25)22-7-3-4-8-22;/h1-2,5-6,15,21H,3-4,7-12H2,(H,20,23);1H
InChIKeyXRGWLHDUODQHLL-UHFFFAOYSA-N
XLogP1.65
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.91
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,4-difluoro-N-[[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119275550
3-amino-N-[[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]butanamide;hydrochloride
CID 120873546
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 119275548
2-methyl-2-[[2-(piperidin-1-ylsulfonylmethyl)phenyl]methylcarbamoylamino]propanoic acid
CID 99782295
N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448161
N-[(4-chloro-2-ethoxyphenyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120955148
N-[(5-chloro-2-pyridinyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120955436
1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119697559
4,4-difluoro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 120955108
2-(pyrrolidin-1-ylsulfonylmethyl)benzenesulfonyl fluoride
CID 175852123
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 53283175
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119697590

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4,4-difluoro-N-[[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 120955206) is 4,4-difluoro-N-[[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4,4-difluoro-N-[[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4,4-difluoro-N-[[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)C1CC(F)(F)CN1.
What is the InChIKey of 4,4-difluoro-N-[[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is XRGWLHDUODQHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O3S.ClH/c18-17(19)9-15(21-12-17)16(23)20-10-13-5-1-2-6-14(13)11-26(24,25)22-7-3-4-8-22;/h1-2,5-6,15,21H,3-4,7-12H2,(H,20,23);1H.
What are the key properties of 4,4-difluoro-N-[[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
4,4-difluoro-N-[[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 423.91 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120955206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).