1-(3-chlorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]methanesulfonamide

C19H23ClN2O3S — CID 90595959

IUPAC1-(3-chlorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]methanesulfonamide
SMILESCOC1CCN(c2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc2)CC1
InChIInChI=1S/C19H23ClN2O3S/c1-25-19-9-11-22(12-10-19)18-7-5-17(6-8-18)21-26(23,24)14-15-3-2-4-16(20)13-15/h2-8,13,19,21H,9-12,14H2,1H3
InChIKeyUWVNTVAYVSUNPI-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.90
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]methanesulfonamide

1-(3-chlorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]methanesulfonamide (PubChem CID 90595959) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]methanesulfonamide
PubChem CID90595959
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name1-(3-chlorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]methanesulfonamide
SMILESCOC1CCN(c2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc2)CC1
InChIInChI=1S/C19H23ClN2O3S/c1-25-19-9-11-22(12-10-19)18-7-5-17(6-8-18)21-26(23,24)14-15-3-2-4-16(20)13-15/h2-8,13,19,21H,9-12,14H2,1H3
InChIKeyUWVNTVAYVSUNPI-UHFFFAOYSA-N
XLogP3.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]methanesulfonamide
CID 90595560
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide
CID 90595556
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide
CID 112984531
1-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide
CID 100512776
1-(3-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide
CID 122301719
1-(3-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]methanesulfonamide
CID 42388921
3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
CID 90595972
1-(3-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide
CID 16890660
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide
CID 90595766
1-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]methanesulfonamide
CID 63665951
1-(3-chlorophenyl)-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide
CID 16944254
1-(2,4-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide
CID 100512787

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]methanesulfonamide (CID 90595959) is 1-(3-chlorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]methanesulfonamide is COC1CCN(c2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]methanesulfonamide?
The InChIKey is UWVNTVAYVSUNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-25-19-9-11-22(12-10-19)18-7-5-17(6-8-18)21-26(23,24)14-15-3-2-4-16(20)13-15/h2-8,13,19,21H,9-12,14H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]methanesulfonamide?
1-(3-chlorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]methanesulfonamide has a molecular weight of 394.92 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 90595959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).