N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide

C19H24N2O5S2 — CID 654019

IUPACN-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C19H24N2O5S2/c1-26-17-7-5-16(6-8-17)15-20-27(22,23)18-9-11-19(12-10-18)28(24,25)21-13-3-2-4-14-21/h5-12,20H,2-4,13-15H2,1H3
InChIKeyJFWDNKVXUWYRPK-UHFFFAOYSA-N
MW424.54 g/mol
LogP2.35
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide

N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 654019) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
PubChem CID654019
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C19H24N2O5S2/c1-26-17-7-5-16(6-8-17)15-20-27(22,23)18-9-11-19(12-10-18)28(24,25)21-13-3-2-4-14-21/h5-12,20H,2-4,13-15H2,1H3
InChIKeyJFWDNKVXUWYRPK-UHFFFAOYSA-N
XLogP2.35
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-Methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 711111
N-(4-methoxybenzyl)benzenesulfonamide
CID 854251
N-(4-diethylaminoethoxybenzyl)benzene-1,4-bis-sulfonamide (I-3)
CID 25059531
4-[2-[(4-Methoxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 4718971
2-[benzenesulfonyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 890682
1-(3-Methoxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 1131760
N-[(4-methoxyphenyl)methyl]-4-propoxybenzenesulfonamide
CID 1870954
1-Benzyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 660773
4-methoxy-N-(4-methoxybenzyl)benzenesulfonamide
CID 741350
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 868666
Benzene-1,4-disulfonic acid 1-cyclopropylamide 4-(4-methoxy-benzylamide)
CID 1429251
N-(2-methylpropyl)-N-[[4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]methyl]-1-phenylmethanesulfonamide
CID 89659229

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide (CID 654019) is N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide is COc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is JFWDNKVXUWYRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-26-17-7-5-16(6-8-17)15-20-27(22,23)18-9-11-19(12-10-18)28(24,25)21-13-3-2-4-14-21/h5-12,20H,2-4,13-15H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide?
N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 424.54 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 654019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).