4-[4-(4-methylphenoxy)piperidin-1-yl]benzenesulfonamide

C18H22N2O3S — CID 11393856

IUPAC4-[4-(4-methylphenoxy)piperidin-1-yl]benzenesulfonamide
SMILESCc1ccc(OC2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C18H22N2O3S/c1-14-2-6-16(7-3-14)23-17-10-12-20(13-11-17)15-4-8-18(9-5-15)24(19,21)22/h2-9,17H,10-13H2,1H3,(H2,19,21,22)
InChIKeyMKZDQMQXDDGCMQ-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.69
Rot. Bonds4

About 4-[4-(4-methylphenoxy)piperidin-1-yl]benzenesulfonamide

4-[4-(4-methylphenoxy)piperidin-1-yl]benzenesulfonamide (PubChem CID 11393856) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-[4-(4-methylphenoxy)piperidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-methylphenoxy)piperidin-1-yl]benzenesulfonamide
PubChem CID11393856
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-[4-(4-methylphenoxy)piperidin-1-yl]benzenesulfonamide
SMILESCc1ccc(OC2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C18H22N2O3S/c1-14-2-6-16(7-3-14)23-17-10-12-20(13-11-17)15-4-8-18(9-5-15)24(19,21)22/h2-9,17H,10-13H2,1H3,(H2,19,21,22)
InChIKeyMKZDQMQXDDGCMQ-UHFFFAOYSA-N
XLogP2.69
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylphenoxy)piperidin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-methylphenoxy)piperidin-1-yl]benzenesulfonamide (CID 11393856) is 4-[4-(4-methylphenoxy)piperidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-methylphenoxy)piperidin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-methylphenoxy)piperidin-1-yl]benzenesulfonamide is Cc1ccc(OC2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1.
What is the InChIKey of 4-[4-(4-methylphenoxy)piperidin-1-yl]benzenesulfonamide?
The InChIKey is MKZDQMQXDDGCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14-2-6-16(7-3-14)23-17-10-12-20(13-11-17)15-4-8-18(9-5-15)24(19,21)22/h2-9,17H,10-13H2,1H3,(H2,19,21,22).
What are the key properties of 4-[4-(4-methylphenoxy)piperidin-1-yl]benzenesulfonamide?
4-[4-(4-methylphenoxy)piperidin-1-yl]benzenesulfonamide has a molecular weight of 346.45 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylphenoxy)piperidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 11393856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).