2-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide

C18H19ClF3N3O2S — CID 55914778

IUPAC2-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(N2CCCCC2)nc1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H19ClF3N3O2S/c19-15-6-5-14(18(20,21)22)10-16(15)28(26,27)24-12-13-4-7-17(23-11-13)25-8-2-1-3-9-25/h4-7,10-11,24H,1-3,8-9,12H2
InChIKeyVZAQNTRKDBLSCC-UHFFFAOYSA-N
MW433.88 g/mol
LogP4.22
Rot. Bonds5

About 2-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 55914778) has the molecular formula C18H19ClF3N3O2S and a molecular weight of 433.88 g/mol. Its IUPAC name is 2-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide
PubChem CID55914778
Molecular FormulaC18H19ClF3N3O2S
Molecular Weight433.88 g/mol
Exact Mass433.08
IUPAC Name2-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(N2CCCCC2)nc1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H19ClF3N3O2S/c19-15-6-5-14(18(20,21)22)10-16(15)28(26,27)24-12-13-4-7-17(23-11-13)25-8-2-1-3-9-25/h4-7,10-11,24H,1-3,8-9,12H2
InChIKeyVZAQNTRKDBLSCC-UHFFFAOYSA-N
XLogP4.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.88
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 35389010
6-chloro-3-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-4H-1,4-benzoxazine-7-sulfonamide
CID 55681512
3,4-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 35388850
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-sulfonamide
CID 35388805
3-chloro-4-cyano-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 55703524
3-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzene-1,3-disulfonamide
CID 55913757
1-(4-fluorophenyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanesulfonamide
CID 55913883
2-chloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 22576015
3,4-dichloro-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 55735225
5-chloro-1,3-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazole-4-sulfonamide
CID 55870765
N-[4-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide
CID 55598687
2-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 60530864

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide (CID 55914778) is 2-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCc1ccc(N2CCCCC2)nc1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VZAQNTRKDBLSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N3O2S/c19-15-6-5-14(18(20,21)22)10-16(15)28(26,27)24-12-13-4-7-17(23-11-13)25-8-2-1-3-9-25/h4-7,10-11,24H,1-3,8-9,12H2.
What are the key properties of 2-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 433.88 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 55914778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).