(2R)-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-cyclohexylpropanamide

C16H21ClFNO3S — CID 51727076

IUPAC(2R)-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-cyclohexylpropanamide
SMILESC[C@H](C(=O)NC1CCCCC1)S(=O)(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H21ClFNO3S/c1-11(16(20)19-14-5-3-2-4-6-14)23(21,22)10-12-7-8-13(18)9-15(12)17/h7-9,11,14H,2-6,10H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeySYZROULIWCZIBG-LLVKDONJSA-N
MW361.87 g/mol
LogP3.23
Rot. Bonds5

About (2R)-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-cyclohexylpropanamide

(2R)-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-cyclohexylpropanamide (PubChem CID 51727076) has the molecular formula C16H21ClFNO3S and a molecular weight of 361.87 g/mol. Its IUPAC name is (2R)-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-cyclohexylpropanamide
PubChem CID51727076
Molecular FormulaC16H21ClFNO3S
Molecular Weight361.87 g/mol
Exact Mass361.09
IUPAC Name(2R)-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-cyclohexylpropanamide
SMILESC[C@H](C(=O)NC1CCCCC1)S(=O)(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H21ClFNO3S/c1-11(16(20)19-14-5-3-2-4-6-14)23(21,22)10-12-7-8-13(18)9-15(12)17/h7-9,11,14H,2-6,10H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeySYZROULIWCZIBG-LLVKDONJSA-N
XLogP3.23
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-methylpropanamide
CID 51946888
(2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide
CID 51946941
N-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]propanamide
CID 42961400
2-benzylsulfonyl-N-cycloheptylpropanamide
CID 46589032
2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopentylpropanamide
CID 81193113
N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 28565044
2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfonyl]-N-cyclopentylpropanamide
CID 42961455
2-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpropanamide
CID 47206565
N-cyclohexyl-2-(2,6-dichloro-4-fluoroanilino)propanamide
CID 83077775
N-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide
CID 107698395
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-cycloheptylacetamide
CID 46249807
(2S)-2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfonyl]-N-cyclopropylpropanamide
CID 94025476

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-cyclohexylpropanamide?
The IUPAC name of (2R)-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-cyclohexylpropanamide (CID 51727076) is (2R)-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-cyclohexylpropanamide.
What is the SMILES notation for (2R)-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-cyclohexylpropanamide?
The canonical SMILES for (2R)-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-cyclohexylpropanamide is C[C@H](C(=O)NC1CCCCC1)S(=O)(=O)Cc1ccc(F)cc1Cl.
What is the InChIKey of (2R)-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-cyclohexylpropanamide?
The InChIKey is SYZROULIWCZIBG-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21ClFNO3S/c1-11(16(20)19-14-5-3-2-4-6-14)23(21,22)10-12-7-8-13(18)9-15(12)17/h7-9,11,14H,2-6,10H2,1H3,(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-cyclohexylpropanamide?
(2R)-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-cyclohexylpropanamide has a molecular weight of 361.87 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-cyclohexylpropanamide is sourced from PubChem (CID 51727076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).