N-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide

C19H20ClFN2O4S — CID 26893076

IUPACN-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C19H20ClFN2O4S/c1-22(13-14-3-2-4-15(20)11-14)19(24)17-12-16(5-6-18(17)21)28(25,26)23-7-9-27-10-8-23/h2-6,11-12H,7-10,13H2,1H3
InChIKeyLMJRQCDVQQMBFM-UHFFFAOYSA-N
MW426.90 g/mol
LogP2.77
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide

N-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 26893076) has the molecular formula C19H20ClFN2O4S and a molecular weight of 426.90 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID26893076
Molecular FormulaC19H20ClFN2O4S
Molecular Weight426.90 g/mol
Exact Mass426.08
IUPAC NameN-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C19H20ClFN2O4S/c1-22(13-14-3-2-4-15(20)11-14)19(24)17-12-16(5-6-18(17)21)28(25,26)23-7-9-27-10-8-23/h2-6,11-12H,7-10,13H2,1H3
InChIKeyLMJRQCDVQQMBFM-UHFFFAOYSA-N
XLogP2.77
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 9336448
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide
CID 9094453
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 2455724
N-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2458310
N'-(3-chlorobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
CID 2578698
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 30278785
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 29441482
2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 33045453
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylcyclohexyl)benzamide
CID 55588260
N-(1-benzylpiperidin-4-yl)-2-fluoro-5-morpholin-4-ylsulfonyl-N-phenylbenzamide
CID 3352580
5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60674642
N-cyclopentyl-2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 51113554

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide (CID 26893076) is N-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide is CN(Cc1cccc(Cl)c1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is LMJRQCDVQQMBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O4S/c1-22(13-14-3-2-4-15(20)11-14)19(24)17-12-16(5-6-18(17)21)28(25,26)23-7-9-27-10-8-23/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
N-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 426.90 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 26893076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).