2-[(2-chloro-6-fluorophenyl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide

C18H18ClFN2O4S — CID 7802215

IUPAC2-[(2-chloro-6-fluorophenyl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C18H18ClFN2O4S/c19-15-4-3-5-16(20)14(15)11-26-17-7-6-12(10-13(17)18(21)23)27(24,25)22-8-1-2-9-22/h3-7,10H,1-2,8-9,11H2,(H2,21,23)
InChIKeyYEIMSZASVNRKKF-UHFFFAOYSA-N
MW412.87 g/mol
LogP2.94
Rot. Bonds6

About 2-[(2-chloro-6-fluorophenyl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide

2-[(2-chloro-6-fluorophenyl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 7802215) has the molecular formula C18H18ClFN2O4S and a molecular weight of 412.87 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID7802215
Molecular FormulaC18H18ClFN2O4S
Molecular Weight412.87 g/mol
Exact Mass412.07
IUPAC Name2-[(2-chloro-6-fluorophenyl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C18H18ClFN2O4S/c19-15-4-3-5-16(20)14(15)11-26-17-7-6-12(10-13(17)18(21)23)27(24,25)22-8-1-2-9-22/h3-7,10H,1-2,8-9,11H2,(H2,21,23)
InChIKeyYEIMSZASVNRKKF-UHFFFAOYSA-N
XLogP2.94
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-chloro-6-fluorophenyl)methoxy]-5-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

5-(azepan-1-ylsulfonyl)-2-ethoxybenzamide
CID 171134249
2-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 16601995
methyl 4-[(2-carbamoyl-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]benzoate
CID 7595375
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 29441482
2-(2-anilino-2-oxoethoxy)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 7595381
2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 17446305
2-[2-(2,5-dimethylphenoxy)ethoxy]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 30328873
2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55989056
2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 25480854
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 4667285
(2-fluorophenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate
CID 7854708
2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 7595413

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide (CID 7802215) is 2-[(2-chloro-6-fluorophenyl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide is NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is YEIMSZASVNRKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O4S/c19-15-4-3-5-16(20)14(15)11-26-17-7-6-12(10-13(17)18(21)23)27(24,25)22-8-1-2-9-22/h3-7,10H,1-2,8-9,11H2,(H2,21,23).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide?
2-[(2-chloro-6-fluorophenyl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 412.87 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 7802215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).