4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide

C16H23FN2O4S — CID 51881548

IUPAC4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H23FN2O4S/c1-11(2)12(3)18-16(20)13-4-5-14(17)15(10-13)24(21,22)19-6-8-23-9-7-19/h4-5,10-12H,6-9H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyCPTDMRFBJHUTRN-LBPRGKRZSA-N
MW358.44 g/mol
LogP1.62
Rot. Bonds5

About 4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide

4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 51881548) has the molecular formula C16H23FN2O4S and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID51881548
Molecular FormulaC16H23FN2O4S
Molecular Weight358.44 g/mol
Exact Mass358.14
IUPAC Name4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H23FN2O4S/c1-11(2)12(3)18-16(20)13-4-5-14(17)15(10-13)24(21,22)19-6-8-23-9-7-19/h4-5,10-12H,6-9H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyCPTDMRFBJHUTRN-LBPRGKRZSA-N
XLogP1.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2669419
N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24634964
4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 27243385
N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2161635
4-chloro-N-[(2S)-3-methylbutan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8923234
4-fluoro-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 55335989
(2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 27262140
4-fluoro-N-[(2R)-pentan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37031936
4-fluoro-N-pentan-2-yl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 42955661
N-[cyclohexyl(phenyl)methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55690040
N-(1-adamantyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 7732505
methyl (2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]-3-methylbutanoate
CID 55942900

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide (CID 51881548) is 4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide is CC(C)[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is CPTDMRFBJHUTRN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23FN2O4S/c1-11(2)12(3)18-16(20)13-4-5-14(17)15(10-13)24(21,22)19-6-8-23-9-7-19/h4-5,10-12H,6-9H2,1-3H3,(H,18,20)/t12-/m0/s1.
What are the key properties of 4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 358.44 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 51881548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).