N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzenesulfonamide

C23H31ClN2O4S — CID 24730709

IUPACN-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(C1CCN(CCc2ccc(Cl)cc2)CC1)S(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C23H31ClN2O4S/c1-29-17-16-26(31(27,28)23-5-3-4-22(18-23)30-2)21-11-14-25(15-12-21)13-10-19-6-8-20(24)9-7-19/h3-9,18,21H,10-17H2,1-2H3
InChIKeyJAJODXYUWJTHTR-UHFFFAOYSA-N
MW467.03 g/mol
LogP3.69
Rot. Bonds10

About N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzenesulfonamide

N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 24730709) has the molecular formula C23H31ClN2O4S and a molecular weight of 467.03 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID24730709
Molecular FormulaC23H31ClN2O4S
Molecular Weight467.03 g/mol
Exact Mass466.17
IUPAC NameN-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(C1CCN(CCc2ccc(Cl)cc2)CC1)S(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C23H31ClN2O4S/c1-29-17-16-26(31(27,28)23-5-3-4-22(18-23)30-2)21-11-14-25(15-12-21)13-10-19-6-8-20(24)9-7-19/h3-9,18,21H,10-17H2,1-2H3
InChIKeyJAJODXYUWJTHTR-UHFFFAOYSA-N
XLogP3.69
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.03
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 24732333
4-methoxy-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 4691018
N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxybenzenesulfonamide
CID 102867487
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 24731456
N-[2-(dimethylamino)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 24732325
N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 61455432
1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 71954698
4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide
CID 61451779
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 24730690
3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61109405
N-cyclopropyl-N-(2-methoxyethyl)-3-propanoylbenzenesulfonamide
CID 61251839
N-(2-methoxyethyl)-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]pyridine-3-carboxamide
CID 24732014

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzenesulfonamide (CID 24730709) is N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzenesulfonamide is COCCN(C1CCN(CCc2ccc(Cl)cc2)CC1)S(=O)(=O)c1cccc(OC)c1.
What is the InChIKey of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is JAJODXYUWJTHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN2O4S/c1-29-17-16-26(31(27,28)23-5-3-4-22(18-23)30-2)21-11-14-25(15-12-21)13-10-19-6-8-20(24)9-7-19/h3-9,18,21H,10-17H2,1-2H3.
What are the key properties of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzenesulfonamide?
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 467.03 g/mol, XLogP of 3.69, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 24730709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).