N-(4-butylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide

C21H25FN2O4S — CID 8833039

IUPACN-(4-butylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESCCCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1
InChIInChI=1S/C21H25FN2O4S/c1-2-3-4-16-5-7-17(8-6-16)23-21(25)19-15-18(9-10-20(19)22)29(26,27)24-11-13-28-14-12-24/h5-10,15H,2-4,11-14H2,1H3,(H,23,25)
InChIKeyJMDRXMDHBRDUPN-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.44
Rot. Bonds7

About N-(4-butylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide

N-(4-butylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 8833039) has the molecular formula C21H25FN2O4S and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
PubChem CID8833039
Molecular FormulaC21H25FN2O4S
Molecular Weight420.51 g/mol
Exact Mass420.15
IUPAC NameN-(4-butylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESCCCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1
InChIInChI=1S/C21H25FN2O4S/c1-2-3-4-16-5-7-17(8-6-16)23-21(25)19-15-18(9-10-20(19)22)29(26,27)24-11-13-28-14-12-24/h5-10,15H,2-4,11-14H2,1H3,(H,23,25)
InChIKeyJMDRXMDHBRDUPN-UHFFFAOYSA-N
XLogP3.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-butoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 55796989
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55480057
N-(4-ethylphenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 3702946
N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 9095795
2-fluoro-5-morpholin-4-ylsulfonyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55489616
N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide
CID 26639213
2-fluoro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide
CID 46522182
4-bromo-N-(4-butylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26639223
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide
CID 47718513
N-(2,5-dimethylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 2596699
N-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8961050
2-fluoro-5-morpholin-4-ylsulfonyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 24636889

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-butylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (CID 8833039) is N-(4-butylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-butylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-butylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is CCCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is JMDRXMDHBRDUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4S/c1-2-3-4-16-5-7-17(8-6-16)23-21(25)19-15-18(9-10-20(19)22)29(26,27)24-11-13-28-14-12-24/h5-10,15H,2-4,11-14H2,1H3,(H,23,25).
What are the key properties of N-(4-butylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
N-(4-butylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 420.51 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 8833039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).