4-fluoro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide

C18H19FN2O3S — CID 3245464

IUPAC4-fluoro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESO=C(c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1)N1CCCC1
InChIInChI=1S/C18H19FN2O3S/c19-16-7-9-17(10-8-16)25(23,24)20-13-14-3-5-15(6-4-14)18(22)21-11-1-2-12-21/h3-10,20H,1-2,11-13H2
InChIKeyLLFCMZABEMLGJR-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.54
Rot. Bonds5

About 4-fluoro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide

4-fluoro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide (PubChem CID 3245464) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-fluoro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
PubChem CID3245464
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name4-fluoro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESO=C(c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1)N1CCCC1
InChIInChI=1S/C18H19FN2O3S/c19-16-7-9-17(10-8-16)25(23,24)20-13-14-3-5-15(6-4-14)18(22)21-11-1-2-12-21/h3-10,20H,1-2,11-13H2
InChIKeyLLFCMZABEMLGJR-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-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4288
N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4290
N-benzyl-4-sulfamoylbenzamide
CID 4347
N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 445770
4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide
CID 446240
N-(2,3-Difluoro-benzyl)-4-sulfamoyl-benzamide
CID 1700
4-(Aminosulfonyl)-N-((4-Fluorophenyl)Methyl)-Benzamide
CID 446237
N-Benzylsaccharin
CID 95841
4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(phenylmethyl)-propan-2-ylamino]ethyl]benzamide
CID 3342390
4-(Aminosulfonyl)-N-[(2,4-Difluorophenyl)Methyl]-Benzamide
CID 446238
4-(Aminosulfonyl)-N-[(2,5-Difluorophenyl)Methyl]-Benzamide
CID 446239
4-(Aminosulfonyl)-N-((2,4,6-Trifluorophenyl)Methyl)-Benzamide
CID 446241

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide (CID 3245464) is 4-fluoro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide is O=C(c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1)N1CCCC1.
What is the InChIKey of 4-fluoro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is LLFCMZABEMLGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c19-16-7-9-17(10-8-16)25(23,24)20-13-14-3-5-15(6-4-14)18(22)21-11-1-2-12-21/h3-10,20H,1-2,11-13H2.
What are the key properties of 4-fluoro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
4-fluoro-N-[[4-(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 4-fluoro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 3245464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).