N-[(2-chlorophenyl)methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C19H22ClFN2O3S — CID 42696156

IUPACN-[(2-chlorophenyl)methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(CCN1CCOCC1)Cc1ccccc1Cl
InChIInChI=1S/C19H22ClFN2O3S/c20-19-4-2-1-3-16(19)15-23(10-9-22-11-13-26-14-12-22)27(24,25)18-7-5-17(21)6-8-18/h1-8H,9-15H2
InChIKeyYFLVLCZWIAPXAU-UHFFFAOYSA-N
MW412.91 g/mol
LogP3.00
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide

N-[(2-chlorophenyl)methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 42696156) has the molecular formula C19H22ClFN2O3S and a molecular weight of 412.91 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID42696156
Molecular FormulaC19H22ClFN2O3S
Molecular Weight412.91 g/mol
Exact Mass412.10
IUPAC NameN-[(2-chlorophenyl)methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(CCN1CCOCC1)Cc1ccccc1Cl
InChIInChI=1S/C19H22ClFN2O3S/c20-19-4-2-1-3-16(19)15-23(10-9-22-11-13-26-14-12-22)27(24,25)18-7-5-17(21)6-8-18/h1-8H,9-15H2
InChIKeyYFLVLCZWIAPXAU-UHFFFAOYSA-N
XLogP3.00
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.91
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 42696156) is N-[(2-chlorophenyl)methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide is O=S(=O)(c1ccc(F)cc1)N(CCN1CCOCC1)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is YFLVLCZWIAPXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O3S/c20-19-4-2-1-3-16(19)15-23(10-9-22-11-13-26-14-12-22)27(24,25)18-7-5-17(21)6-8-18/h1-8H,9-15H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
N-[(2-chlorophenyl)methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 412.91 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 42696156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).