2-methoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide

C18H23N3O3S — CID 121108144

IUPAC2-methoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C18H23N3O3S/c1-24-17-4-2-3-5-18(17)25(22,23)20-14-15-8-12-21(13-9-15)16-6-10-19-11-7-16/h2-7,10-11,15,20H,8-9,12-14H2,1H3
InChIKeyQBKILPSCJFDHAH-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.29
Rot. Bonds6

About 2-methoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide

2-methoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 121108144) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-methoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID121108144
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-methoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C18H23N3O3S/c1-24-17-4-2-3-5-18(17)25(22,23)20-14-15-8-12-21(13-9-15)16-6-10-19-11-7-16/h2-7,10-11,15,20H,8-9,12-14H2,1H3
InChIKeyQBKILPSCJFDHAH-UHFFFAOYSA-N
XLogP2.29
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108159
2-nitro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108163
2-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109576
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxybenzenesulfonamide
CID 72716897
4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108130
3-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 86263506
methyl 3-[(1-pyridin-4-ylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 121108182
2-methoxy-4,5-dimethyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 91624844
2-methoxy-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109725
2-methoxy-5-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640333
2-(2-methoxyphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 86263567
2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720923

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide (CID 121108144) is 2-methoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide is COc1ccccc1S(=O)(=O)NCC1CCN(c2ccncc2)CC1.
What is the InChIKey of 2-methoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is QBKILPSCJFDHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-24-17-4-2-3-5-18(17)25(22,23)20-14-15-8-12-21(13-9-15)16-6-10-19-11-7-16/h2-7,10-11,15,20H,8-9,12-14H2,1H3.
What are the key properties of 2-methoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide?
2-methoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 361.47 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 121108144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).