3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide

C18H19FN2O3S — CID 47064934

IUPAC3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESO=C(c1cccc(CNS(=O)(=O)c2cccc(F)c2)c1)N1CCCC1
InChIInChI=1S/C18H19FN2O3S/c19-16-7-4-8-17(12-16)25(23,24)20-13-14-5-3-6-15(11-14)18(22)21-9-1-2-10-21/h3-8,11-12,20H,1-2,9-10,13H2
InChIKeyLQKBNIFGMUMXMB-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.54
Rot. Bonds5

About 3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide

3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide (PubChem CID 47064934) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
PubChem CID47064934
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESO=C(c1cccc(CNS(=O)(=O)c2cccc(F)c2)c1)N1CCCC1
InChIInChI=1S/C18H19FN2O3S/c19-16-7-4-8-17(12-16)25(23,24)20-13-14-5-3-6-15(11-14)18(22)21-9-1-2-10-21/h3-8,11-12,20H,1-2,9-10,13H2
InChIKeyLQKBNIFGMUMXMB-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 39659483
3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 109064852
2,3,5,6-tetramethyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 55906508
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
N-benzyl-3-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide
CID 78785231
4-methoxy-3-nitro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 55906632
2-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 55906378
3-[(3-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 46467072
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 2213121
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063301
N-[(2-methylphenyl)methyl]-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063280

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide (CID 47064934) is 3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide is O=C(c1cccc(CNS(=O)(=O)c2cccc(F)c2)c1)N1CCCC1.
What is the InChIKey of 3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is LQKBNIFGMUMXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c19-16-7-4-8-17(12-16)25(23,24)20-13-14-5-3-6-15(11-14)18(22)21-9-1-2-10-21/h3-8,11-12,20H,1-2,9-10,13H2.
What are the key properties of 3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 362.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 47064934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).