5-chloro-2-methoxy-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide

C25H34ClN3O3S — CID 44526711

IUPAC5-chloro-2-methoxy-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(CCN2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C25H34ClN3O3S/c1-32-24-9-8-21(26)19-25(24)33(30,31)27-22-7-5-6-20(18-22)10-15-28-16-11-23(12-17-28)29-13-3-2-4-14-29/h5-9,18-19,23,27H,2-4,10-17H2,1H3
InChIKeyRMCZUCYVBQUKDC-UHFFFAOYSA-N
MW492.09 g/mol
LogP4.64
Rot. Bonds8

About 5-chloro-2-methoxy-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide

5-chloro-2-methoxy-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide (PubChem CID 44526711) has the molecular formula C25H34ClN3O3S and a molecular weight of 492.09 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide
PubChem CID44526711
Molecular FormulaC25H34ClN3O3S
Molecular Weight492.09 g/mol
Exact Mass491.20
IUPAC Name5-chloro-2-methoxy-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(CCN2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C25H34ClN3O3S/c1-32-24-9-8-21(26)19-25(24)33(30,31)27-22-7-5-6-20(18-22)10-15-28-16-11-23(12-17-28)29-13-3-2-4-14-29/h5-9,18-19,23,27H,2-4,10-17H2,1H3
InChIKeyRMCZUCYVBQUKDC-UHFFFAOYSA-N
XLogP4.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.09
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-methoxy-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-Chloro-2-ethoxybenzenesulfonyl)-4-(3,4-dimethylphenyl)piperazine
CID 1290133
1-(5-chloro-2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 747343
5-chloro-2-methoxy-N-[2-(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)ethyl]benzene-1-sulfonamide
CID 16837754
2-[4-(5-Chloro-2-methoxybenzenesulfonyl)piperazin-1-YL]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4051809
5-chloro-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide
CID 71730040
5-chloro-2-methoxy-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide
CID 71730048
5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 71730053
1-[(5-Chloro-2-methoxyphenyl)sulfonyl]-4-(2,4-dimethylphenyl)piperazine
CID 1262223
1-Benzhydryl-4-((5-chloro-2-methoxyphenyl)sulfonyl)piperazine
CID 3308591
N-((1-benzylpiperidin-4-yl)methyl)-5-chloro-2-methoxybenzenesulfonamide
CID 16887821
5-chloro-N-(4-(dimethylamino)phenethyl)-2-methoxybenzenesulfonamide
CID 16890471
5-chloro-N-(2-(ethylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)-2-methoxybenzenesulfonamide
CID 16926597

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide (CID 44526711) is 5-chloro-2-methoxy-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(CCN2CCC(N3CCCCC3)CC2)c1.
What is the InChIKey of 5-chloro-2-methoxy-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide?
The InChIKey is RMCZUCYVBQUKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN3O3S/c1-32-24-9-8-21(26)19-25(24)33(30,31)27-22-7-5-6-20(18-22)10-15-28-16-11-23(12-17-28)29-13-3-2-4-14-29/h5-9,18-19,23,27H,2-4,10-17H2,1H3.
What are the key properties of 5-chloro-2-methoxy-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide?
5-chloro-2-methoxy-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide has a molecular weight of 492.09 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 44526711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).