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

C19H19Cl2FN2O3S — CID 29441482

IUPAC2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C19H19Cl2FN2O3S/c1-23(12-15-16(20)5-4-6-18(15)22)19(25)14-11-13(7-8-17(14)21)28(26,27)24-9-2-3-10-24/h4-8,11H,2-3,9-10,12H2,1H3
InChIKeyGFEAPJXJJLNZLN-UHFFFAOYSA-N
MW445.34 g/mol
LogP4.19
Rot. Bonds5

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

2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 29441482) has the molecular formula C19H19Cl2FN2O3S and a molecular weight of 445.34 g/mol. Its IUPAC name is 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID29441482
Molecular FormulaC19H19Cl2FN2O3S
Molecular Weight445.34 g/mol
Exact Mass444.05
IUPAC Name2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C19H19Cl2FN2O3S/c1-23(12-15-16(20)5-4-6-18(15)22)19(25)14-11-13(7-8-17(14)21)28(26,27)24-9-2-3-10-24/h4-8,11H,2-3,9-10,12H2,1H3
InChIKeyGFEAPJXJJLNZLN-UHFFFAOYSA-N
XLogP4.19
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 30278785
2-chloro-N-methyl-5-pyrrolidin-1-ylsulfonyl-N-(thiophen-3-ylmethyl)benzamide
CID 18127125
N-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 36556440
N-(2-anilino-2-oxoethyl)-2-chloro-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 46415089
N-[(2-chloro-6-fluorophenyl)methyl]-5-(diethylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 39914710
2-[(2-chloro-6-fluorophenyl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 7802215
N-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 26893076
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 31287206
4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide
CID 34855876
N-[(2-chloro-6-fluorophenyl)methyl]-2-(methanesulfonamido)-N-methylbenzamide
CID 51162479
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18112160
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 30278857

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide (CID 29441482) is 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide is CN(Cc1c(F)cccc1Cl)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is GFEAPJXJJLNZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN2O3S/c1-23(12-15-16(20)5-4-6-18(15)22)19(25)14-11-13(7-8-17(14)21)28(26,27)24-9-2-3-10-24/h4-8,11H,2-3,9-10,12H2,1H3.
What are the key properties of 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 445.34 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 29441482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).