4-fluoro-N-(2-methoxyphenyl)-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide

C19H21FN2O4S — CID 55886733

IUPAC4-fluoro-N-(2-methoxyphenyl)-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccccc1N(C)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H21FN2O4S/c1-21(16-7-3-4-8-17(16)26-2)19(23)14-9-10-15(20)18(13-14)27(24,25)22-11-5-6-12-22/h3-4,7-10,13H,5-6,11-12H2,1-2H3
InChIKeyDHVZUWCHXZKPIM-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.90
Rot. Bonds5

About 4-fluoro-N-(2-methoxyphenyl)-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide

4-fluoro-N-(2-methoxyphenyl)-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 55886733) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 4-fluoro-N-(2-methoxyphenyl)-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methoxyphenyl)-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID55886733
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name4-fluoro-N-(2-methoxyphenyl)-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccccc1N(C)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H21FN2O4S/c1-21(16-7-3-4-8-17(16)26-2)19(23)14-9-10-15(20)18(13-14)27(24,25)22-11-5-6-12-22/h3-4,7-10,13H,5-6,11-12H2,1-2H3
InChIKeyDHVZUWCHXZKPIM-UHFFFAOYSA-N
XLogP2.90
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-(2-methoxyphenyl)-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide 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-(4-bromo-2-chlorophenyl)-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 60575271
4-fluoro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 26618996
N-(1,3-benzothiazol-2-yl)-4-fluoro-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37494431
N-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742269
N-(2-methoxyphenyl)-N,1-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 22519031
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-4-fluoro-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55597649
4-fluoro-N-[3-(2-fluoro-N-methylanilino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55908423
(2-methoxyphenyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 8778499
N-[1-(4-chlorophenyl)ethyl]-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 46598939
N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
CID 46591480
N-(3-chloro-4-methoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26735927
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 26994062

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methoxyphenyl)-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-fluoro-N-(2-methoxyphenyl)-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide (CID 55886733) is 4-fluoro-N-(2-methoxyphenyl)-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-fluoro-N-(2-methoxyphenyl)-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-fluoro-N-(2-methoxyphenyl)-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide is COc1ccccc1N(C)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 4-fluoro-N-(2-methoxyphenyl)-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is DHVZUWCHXZKPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-21(16-7-3-4-8-17(16)26-2)19(23)14-9-10-15(20)18(13-14)27(24,25)22-11-5-6-12-22/h3-4,7-10,13H,5-6,11-12H2,1-2H3.
What are the key properties of 4-fluoro-N-(2-methoxyphenyl)-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
4-fluoro-N-(2-methoxyphenyl)-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 392.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methoxyphenyl)-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55886733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).