4-fluoro-3-morpholin-4-ylsulfonyl-N-propylbenzamide

C14H19FN2O4S — CID 27241771

IUPAC4-fluoro-3-morpholin-4-ylsulfonyl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C14H19FN2O4S/c1-2-5-16-14(18)11-3-4-12(15)13(10-11)22(19,20)17-6-8-21-9-7-17/h3-4,10H,2,5-9H2,1H3,(H,16,18)
InChIKeyBDUZCKHEACQKRB-UHFFFAOYSA-N
MW330.38 g/mol
LogP0.99
Rot. Bonds5

About 4-fluoro-3-morpholin-4-ylsulfonyl-N-propylbenzamide

4-fluoro-3-morpholin-4-ylsulfonyl-N-propylbenzamide (PubChem CID 27241771) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-fluoro-3-morpholin-4-ylsulfonyl-N-propylbenzamide.

Molecular Properties

Compound Name4-fluoro-3-morpholin-4-ylsulfonyl-N-propylbenzamide
PubChem CID27241771
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name4-fluoro-3-morpholin-4-ylsulfonyl-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C14H19FN2O4S/c1-2-5-16-14(18)11-3-4-12(15)13(10-11)22(19,20)17-6-8-21-9-7-17/h3-4,10H,2,5-9H2,1H3,(H,16,18)
InChIKeyBDUZCKHEACQKRB-UHFFFAOYSA-N
XLogP0.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4290
4-(Aminosulfonyl)-N-((4-Fluorophenyl)Methyl)-Benzamide
CID 446237
Aminodi(Ethyloxy)Ethylaminocarbonylbenzenesulfonamide
CID 2144
N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076675
n-Propyl-4-sulfamoylbenzamide
CID 226552
N-Ethyl 4-sulfamylbenzamide
CID 10242881
4-Sulfamylbenzamide,N-hexyl
CID 11778627
N-benzyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076673
(4-Methylpiperidin-1-yl)(4-(morpholinosulfonyl)phenyl)methanone
CID 1158041
Aminomethylenecarbonylaminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide
CID 2150
N-Butyl 4-sulfamylbenzamide
CID 10355056
N-Pentyl 4-sulfamylbenzamide
CID 23274923

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-morpholin-4-ylsulfonyl-N-propylbenzamide?
The IUPAC name of 4-fluoro-3-morpholin-4-ylsulfonyl-N-propylbenzamide (CID 27241771) is 4-fluoro-3-morpholin-4-ylsulfonyl-N-propylbenzamide.
What is the SMILES notation for 4-fluoro-3-morpholin-4-ylsulfonyl-N-propylbenzamide?
The canonical SMILES for 4-fluoro-3-morpholin-4-ylsulfonyl-N-propylbenzamide is CCCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-fluoro-3-morpholin-4-ylsulfonyl-N-propylbenzamide?
The InChIKey is BDUZCKHEACQKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-2-5-16-14(18)11-3-4-12(15)13(10-11)22(19,20)17-6-8-21-9-7-17/h3-4,10H,2,5-9H2,1H3,(H,16,18).
What are the key properties of 4-fluoro-3-morpholin-4-ylsulfonyl-N-propylbenzamide?
4-fluoro-3-morpholin-4-ylsulfonyl-N-propylbenzamide has a molecular weight of 330.38 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-morpholin-4-ylsulfonyl-N-propylbenzamide is sourced from PubChem (CID 27241771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).