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

C16H20ClFN4O2S — CID 126770509

IUPAC1-(3-chloro-4-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]methanesulfonamide
SMILESCn1cc(N2CCCC(NS(=O)(=O)Cc3ccc(F)c(Cl)c3)C2)cn1
InChIInChI=1S/C16H20ClFN4O2S/c1-21-10-14(8-19-21)22-6-2-3-13(9-22)20-25(23,24)11-12-4-5-16(18)15(17)7-12/h4-5,7-8,10,13,20H,2-3,6,9,11H2,1H3
InChIKeyGCLHIRCUTYZHOS-UHFFFAOYSA-N
MW386.88 g/mol
LogP2.30
Rot. Bonds5

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

1-(3-chloro-4-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]methanesulfonamide (PubChem CID 126770509) has the molecular formula C16H20ClFN4O2S and a molecular weight of 386.88 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]methanesulfonamide
PubChem CID126770509
Molecular FormulaC16H20ClFN4O2S
Molecular Weight386.88 g/mol
Exact Mass386.10
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]methanesulfonamide
SMILESCn1cc(N2CCCC(NS(=O)(=O)Cc3ccc(F)c(Cl)c3)C2)cn1
InChIInChI=1S/C16H20ClFN4O2S/c1-21-10-14(8-19-21)22-6-2-3-13(9-22)20-25(23,24)11-12-4-5-16(18)15(17)7-12/h4-5,7-8,10,13,20H,2-3,6,9,11H2,1H3
InChIKeyGCLHIRCUTYZHOS-UHFFFAOYSA-N
XLogP2.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-[(3R)-piperidin-3-yl]methanesulfonamide
CID 120876434
(3R)-1-(3-chloro-4-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 97340201
1-(3-chloro-4-fluorophenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]methanesulfonamide
CID 75389786
(3R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115725
N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
CID 84596417
5-chloro-3-fluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]pyridin-2-amine
CID 146128765
3-chloro-4-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide
CID 47065171
N-(1-benzoylpiperidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56581732
1-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine
CID 133330179
3-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-8-sulfonamide
CID 99817276
2-[[1-(3-chloro-4-fluorophenyl)piperidin-3-yl]amino]acetonitrile
CID 117004802
1-(3-chloro-4-fluorophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide;hydrochloride
CID 120876608

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]methanesulfonamide (CID 126770509) is 1-(3-chloro-4-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]methanesulfonamide is Cn1cc(N2CCCC(NS(=O)(=O)Cc3ccc(F)c(Cl)c3)C2)cn1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]methanesulfonamide?
The InChIKey is GCLHIRCUTYZHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN4O2S/c1-21-10-14(8-19-21)22-6-2-3-13(9-22)20-25(23,24)11-12-4-5-16(18)15(17)7-12/h4-5,7-8,10,13,20H,2-3,6,9,11H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]methanesulfonamide?
1-(3-chloro-4-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]methanesulfonamide has a molecular weight of 386.88 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 126770509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).