1-(3-chloro-4-fluorophenyl)-N-[(3R)-piperidin-3-yl]methanesulfonamide

C12H16ClFN2O2S — CID 120876434

IUPAC1-(3-chloro-4-fluorophenyl)-N-[(3R)-piperidin-3-yl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)c(Cl)c1)N[C@@H]1CCCNC1
InChIInChI=1S/C12H16ClFN2O2S/c13-11-6-9(3-4-12(11)14)8-19(17,18)16-10-2-1-5-15-7-10/h3-4,6,10,15-16H,1-2,5,7-8H2/t10-/m1/s1
InChIKeyJCOHJFTWJZFUCQ-SNVBAGLBSA-N
MW306.79 g/mol
LogP1.65
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-N-[(3R)-piperidin-3-yl]methanesulfonamide

1-(3-chloro-4-fluorophenyl)-N-[(3R)-piperidin-3-yl]methanesulfonamide (PubChem CID 120876434) has the molecular formula C12H16ClFN2O2S and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-[(3R)-piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-[(3R)-piperidin-3-yl]methanesulfonamide
PubChem CID120876434
Molecular FormulaC12H16ClFN2O2S
Molecular Weight306.79 g/mol
Exact Mass306.06
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-[(3R)-piperidin-3-yl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)c(Cl)c1)N[C@@H]1CCCNC1
InChIInChI=1S/C12H16ClFN2O2S/c13-11-6-9(3-4-12(11)14)8-19(17,18)16-10-2-1-5-15-7-10/h3-4,6,10,15-16H,1-2,5,7-8H2/t10-/m1/s1
InChIKeyJCOHJFTWJZFUCQ-SNVBAGLBSA-N
XLogP1.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide;hydrochloride
CID 120876608
N-[(3-chloro-4-fluorophenyl)methyl]piperidine-3-sulfonamide
CID 62532599
1-(3-chloro-4-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]methanesulfonamide
CID 126770509
1-(4-nitrophenyl)-N-[(3R)-piperidin-3-yl]methanesulfonamide;hydrochloride
CID 120723708
methyl 4-[[(3R)-piperidin-3-yl]sulfamoylmethyl]benzoate
CID 104645715
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
N-[2-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-amine
CID 115119037
2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723761
N-piperidin-3-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
CID 120999521
1-(3-chloro-4-fluorophenyl)-4-piperidin-3-ylpentan-2-one
CID 103042622
4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723768
5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716768

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-[(3R)-piperidin-3-yl]methanesulfonamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-[(3R)-piperidin-3-yl]methanesulfonamide (CID 120876434) is 1-(3-chloro-4-fluorophenyl)-N-[(3R)-piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-[(3R)-piperidin-3-yl]methanesulfonamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-[(3R)-piperidin-3-yl]methanesulfonamide is O=S(=O)(Cc1ccc(F)c(Cl)c1)N[C@@H]1CCCNC1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-[(3R)-piperidin-3-yl]methanesulfonamide?
The InChIKey is JCOHJFTWJZFUCQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16ClFN2O2S/c13-11-6-9(3-4-12(11)14)8-19(17,18)16-10-2-1-5-15-7-10/h3-4,6,10,15-16H,1-2,5,7-8H2/t10-/m1/s1.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-[(3R)-piperidin-3-yl]methanesulfonamide?
1-(3-chloro-4-fluorophenyl)-N-[(3R)-piperidin-3-yl]methanesulfonamide has a molecular weight of 306.79 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-[(3R)-piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 120876434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).