(2S)-N-cyclohexylsulfonyl-2-(4-fluorophenyl)sulfonylpropanamide

C15H20FNO5S2 — CID 94783911

IUPAC(2S)-N-cyclohexylsulfonyl-2-(4-fluorophenyl)sulfonylpropanamide
SMILESC[C@@H](C(=O)NS(=O)(=O)C1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO5S2/c1-11(23(19,20)13-9-7-12(16)8-10-13)15(18)17-24(21,22)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyDDFSXDJTLAWTII-NSHDSACASA-N
MW377.46 g/mol
LogP1.77
Rot. Bonds5

About (2S)-N-cyclohexylsulfonyl-2-(4-fluorophenyl)sulfonylpropanamide

(2S)-N-cyclohexylsulfonyl-2-(4-fluorophenyl)sulfonylpropanamide (PubChem CID 94783911) has the molecular formula C15H20FNO5S2 and a molecular weight of 377.46 g/mol. Its IUPAC name is (2S)-N-cyclohexylsulfonyl-2-(4-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexylsulfonyl-2-(4-fluorophenyl)sulfonylpropanamide
PubChem CID94783911
Molecular FormulaC15H20FNO5S2
Molecular Weight377.46 g/mol
Exact Mass377.08
IUPAC Name(2S)-N-cyclohexylsulfonyl-2-(4-fluorophenyl)sulfonylpropanamide
SMILESC[C@@H](C(=O)NS(=O)(=O)C1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO5S2/c1-11(23(19,20)13-9-7-12(16)8-10-13)15(18)17-24(21,22)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyDDFSXDJTLAWTII-NSHDSACASA-N
XLogP1.77
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)sulfonyl-N-(3-methylcyclohexyl)propanamide
CID 56797945
(2R)-2-(4-fluorophenyl)sulfonylpropanoic acid
CID 28753557
(2S)-2-[[(2S)-2-(4-fluorophenyl)sulfonylpropanoyl]amino]propanamide
CID 94652953
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 55959373
(3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylic acid
CID 125147539
(2S)-N-(cyclohexylmethyl)-2-(3-fluorophenyl)sulfonylpropanamide
CID 124509791
(2R)-N-cyclohexyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 40692056
2-(4-fluorophenyl)sulfonyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119492871
N-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride
CID 119619656
N-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CID 47268952
N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 86958039
N-(2,3-dichlorophenyl)-2-(4-fluorophenyl)sulfonylpropanamide
CID 55811044

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexylsulfonyl-2-(4-fluorophenyl)sulfonylpropanamide?
The IUPAC name of (2S)-N-cyclohexylsulfonyl-2-(4-fluorophenyl)sulfonylpropanamide (CID 94783911) is (2S)-N-cyclohexylsulfonyl-2-(4-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for (2S)-N-cyclohexylsulfonyl-2-(4-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for (2S)-N-cyclohexylsulfonyl-2-(4-fluorophenyl)sulfonylpropanamide is C[C@@H](C(=O)NS(=O)(=O)C1CCCCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-N-cyclohexylsulfonyl-2-(4-fluorophenyl)sulfonylpropanamide?
The InChIKey is DDFSXDJTLAWTII-NSHDSACASA-N. The full InChI is InChI=1S/C15H20FNO5S2/c1-11(23(19,20)13-9-7-12(16)8-10-13)15(18)17-24(21,22)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-N-cyclohexylsulfonyl-2-(4-fluorophenyl)sulfonylpropanamide?
(2S)-N-cyclohexylsulfonyl-2-(4-fluorophenyl)sulfonylpropanamide has a molecular weight of 377.46 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexylsulfonyl-2-(4-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 94783911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).