N-(1-ethylpiperidin-4-yl)-2-methoxy-N-phenylbenzenesulfonamide

C20H26N2O3S — CID 126811816

IUPACN-(1-ethylpiperidin-4-yl)-2-methoxy-N-phenylbenzenesulfonamide
SMILESCCN1CCC(N(c2ccccc2)S(=O)(=O)c2ccccc2OC)CC1
InChIInChI=1S/C20H26N2O3S/c1-3-21-15-13-18(14-16-21)22(17-9-5-4-6-10-17)26(23,24)20-12-8-7-11-19(20)25-2/h4-12,18H,3,13-16H2,1-2H3
InChIKeySDFSHUOZYQDFSR-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.37
Rot. Bonds6

About N-(1-ethylpiperidin-4-yl)-2-methoxy-N-phenylbenzenesulfonamide

N-(1-ethylpiperidin-4-yl)-2-methoxy-N-phenylbenzenesulfonamide (PubChem CID 126811816) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-2-methoxy-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-2-methoxy-N-phenylbenzenesulfonamide
PubChem CID126811816
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-(1-ethylpiperidin-4-yl)-2-methoxy-N-phenylbenzenesulfonamide
SMILESCCN1CCC(N(c2ccccc2)S(=O)(=O)c2ccccc2OC)CC1
InChIInChI=1S/C20H26N2O3S/c1-3-21-15-13-18(14-16-21)22(17-9-5-4-6-10-17)26(23,24)20-12-8-7-11-19(20)25-2/h4-12,18H,3,13-16H2,1-2H3
InChIKeySDFSHUOZYQDFSR-UHFFFAOYSA-N
XLogP3.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-2-methoxy-N-phenylbenzenesulfonamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-2-methoxy-N-phenylbenzenesulfonamide (CID 126811816) is N-(1-ethylpiperidin-4-yl)-2-methoxy-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-2-methoxy-N-phenylbenzenesulfonamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-2-methoxy-N-phenylbenzenesulfonamide is CCN1CCC(N(c2ccccc2)S(=O)(=O)c2ccccc2OC)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-2-methoxy-N-phenylbenzenesulfonamide?
The InChIKey is SDFSHUOZYQDFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-3-21-15-13-18(14-16-21)22(17-9-5-4-6-10-17)26(23,24)20-12-8-7-11-19(20)25-2/h4-12,18H,3,13-16H2,1-2H3.
What are the key properties of N-(1-ethylpiperidin-4-yl)-2-methoxy-N-phenylbenzenesulfonamide?
N-(1-ethylpiperidin-4-yl)-2-methoxy-N-phenylbenzenesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-2-methoxy-N-phenylbenzenesulfonamide is sourced from PubChem (CID 126811816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).