N-benzyl-N-butan-2-yl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide

C22H27FN2O4S — CID 18190315

IUPACN-benzyl-N-butan-2-yl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H27FN2O4S/c1-3-17(2)25(16-18-7-5-4-6-8-18)22(26)19-9-10-20(23)21(15-19)30(27,28)24-11-13-29-14-12-24/h4-10,15,17H,3,11-14,16H2,1-2H3
InChIKeyHKHYPOMXNIGXGZ-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.29
Rot. Bonds7

About N-benzyl-N-butan-2-yl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide

N-benzyl-N-butan-2-yl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 18190315) has the molecular formula C22H27FN2O4S and a molecular weight of 434.53 g/mol. Its IUPAC name is N-benzyl-N-butan-2-yl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-butan-2-yl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
PubChem CID18190315
Molecular FormulaC22H27FN2O4S
Molecular Weight434.53 g/mol
Exact Mass434.17
IUPAC NameN-benzyl-N-butan-2-yl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H27FN2O4S/c1-3-17(2)25(16-18-7-5-4-6-8-18)22(26)19-9-10-20(23)21(15-19)30(27,28)24-11-13-29-14-12-24/h4-10,15,17H,3,11-14,16H2,1-2H3
InChIKeyHKHYPOMXNIGXGZ-UHFFFAOYSA-N
XLogP3.29
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-chloro-N-(1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 75854481
N-butan-2-yl-N-butyl-4-chloro-3-morpholin-4-ylsulfonylbenzamide
CID 60592193
(1-oxo-1-phenylpropan-2-yl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 16578086
4-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-morpholin-4-ylsulfonylbenzamide
CID 55589792
N-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 9336448
N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 9303699
4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 27243385
N-benzyl-4-methyl-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 25163174
4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 51881548
N-benzyl-N-(furan-2-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 37429678
N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2161635
N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55613673

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-yl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-benzyl-N-butan-2-yl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide (CID 18190315) is N-benzyl-N-butan-2-yl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-benzyl-N-butan-2-yl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-benzyl-N-butan-2-yl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide is CCC(C)N(Cc1ccccc1)C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-benzyl-N-butan-2-yl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is HKHYPOMXNIGXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4S/c1-3-17(2)25(16-18-7-5-4-6-8-18)22(26)19-9-10-20(23)21(15-19)30(27,28)24-11-13-29-14-12-24/h4-10,15,17H,3,11-14,16H2,1-2H3.
What are the key properties of N-benzyl-N-butan-2-yl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
N-benzyl-N-butan-2-yl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 434.53 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butan-2-yl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 18190315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).