3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide

C18H20ClFN2O3S — CID 113092652

IUPAC3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(F)ccc2N2CCCCC2)cc1Cl
InChIInChI=1S/C18H20ClFN2O3S/c1-25-18-8-6-14(12-15(18)19)26(23,24)21-16-11-13(20)5-7-17(16)22-9-3-2-4-10-22/h5-8,11-12,21H,2-4,9-10H2,1H3
InChIKeyMMYVJQDRSJVDCX-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.28
Rot. Bonds5

About 3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide

3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide (PubChem CID 113092652) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is 3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide
PubChem CID113092652
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC Name3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(F)ccc2N2CCCCC2)cc1Cl
InChIInChI=1S/C18H20ClFN2O3S/c1-25-18-8-6-14(12-15(18)19)26(23,24)21-16-11-13(20)5-7-17(16)22-9-3-2-4-10-22/h5-8,11-12,21H,2-4,9-10H2,1H3
InChIKeyMMYVJQDRSJVDCX-UHFFFAOYSA-N
XLogP4.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-fluoro-2-piperidin-1-ylphenyl)sulfamoyl]-4-methoxybenzoic acid
CID 73437637
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 113092411
3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-4-(4-ethylpiperazin-1-yl)benzoic acid
CID 46291804
3-chloro-4-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298771
N-(5-fluoro-2-piperidin-1-ylphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 113092662
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-fluoro-2-methoxyphenyl)piperazine
CID 86959908
3-chloro-4-methoxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 71790196
4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359709
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272
4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776607
N-(5-fluoro-2-piperidin-1-ylphenyl)thiophene-2-sulfonamide
CID 113092648

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide (CID 113092652) is 3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(F)ccc2N2CCCCC2)cc1Cl.
What is the InChIKey of 3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is MMYVJQDRSJVDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c1-25-18-8-6-14(12-15(18)19)26(23,24)21-16-11-13(20)5-7-17(16)22-9-3-2-4-10-22/h5-8,11-12,21H,2-4,9-10H2,1H3.
What are the key properties of 3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide?
3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 398.89 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 113092652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).