4-fluoro-3-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide

C14H19FN2O4S — CID 42562638

IUPAC4-fluoro-3-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C14H19FN2O4S/c1-10(2)16-14(18)11-3-4-12(15)13(9-11)22(19,20)17-5-7-21-8-6-17/h3-4,9-10H,5-8H2,1-2H3,(H,16,18)
InChIKeyLKRZXDZMJLPGPD-UHFFFAOYSA-N
MW330.38 g/mol
LogP0.98
Rot. Bonds4

About 4-fluoro-3-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide

4-fluoro-3-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide (PubChem CID 42562638) 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-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-fluoro-3-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide
PubChem CID42562638
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name4-fluoro-3-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C14H19FN2O4S/c1-10(2)16-14(18)11-3-4-12(15)13(9-11)22(19,20)17-5-7-21-8-6-17/h3-4,9-10H,5-8H2,1-2H3,(H,16,18)
InChIKeyLKRZXDZMJLPGPD-UHFFFAOYSA-N
XLogP0.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Aminodi(Ethyloxy)Ethylaminocarbonylbenzenesulfonamide
CID 2144
N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076675
Phenylalanylaminodi(ethyloxy)ethyl benzenesulfonamideaminocarbonylbenzenesulfonamide
CID 444849
N-(4-methylcyclohexyl)-3-(4-methylpiperazino)sulfonyl-benzamide
CID 24983123
N-benzyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076673
(4-Methylpiperidin-1-yl)(4-(morpholinosulfonyl)phenyl)methanone
CID 1158041
Aminomethylenecarbonylaminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide
CID 2150
4-Sulfamoyl-N-(3-morpholinopropyl)benzamide (I-1)
CID 25060316
2,5-dimethyl-N-[4-(4-morpholinylcarbonyl)benzyl]benzenesulfonamide
CID 984387
N-[(2-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 2122704
N-cyclopropyl-3-(morpholin-4-ylsulfonyl)benzamide
CID 2326520
[4-(2-Methyl-piperidine-1-sulfonyl)-phenyl]-morpholin-4-yl-methanone
CID 2889869

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-fluoro-3-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide (CID 42562638) is 4-fluoro-3-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-fluoro-3-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-fluoro-3-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-fluoro-3-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide?
The InChIKey is LKRZXDZMJLPGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-10(2)16-14(18)11-3-4-12(15)13(9-11)22(19,20)17-5-7-21-8-6-17/h3-4,9-10H,5-8H2,1-2H3,(H,16,18).
What are the key properties of 4-fluoro-3-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide?
4-fluoro-3-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide has a molecular weight of 330.38 g/mol, XLogP of 0.98, 4 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-propan-2-ylbenzamide is sourced from PubChem (CID 42562638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).