N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N,4-dimethylbenzenesulfonamide

C20H26N2O5S2 — CID 5178498

IUPACN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H26N2O5S2/c1-16-7-9-17(10-8-16)28(23,24)21(2)19-15-18(11-12-20(19)27-3)29(25,26)22-13-5-4-6-14-22/h7-12,15H,4-6,13-14H2,1-3H3
InChIKeyLCUGWEZTUPRBDJ-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.00
Rot. Bonds6

About N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N,4-dimethylbenzenesulfonamide

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N,4-dimethylbenzenesulfonamide (PubChem CID 5178498) has the molecular formula C20H26N2O5S2 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N,4-dimethylbenzenesulfonamide
PubChem CID5178498
Molecular FormulaC20H26N2O5S2
Molecular Weight438.57 g/mol
Exact Mass438.13
IUPAC NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H26N2O5S2/c1-16-7-9-17(10-8-16)28(23,24)21(2)19-15-18(11-12-20(19)27-3)29(25,26)22-13-5-4-6-14-22/h7-12,15H,4-6,13-14H2,1-3H3
InChIKeyLCUGWEZTUPRBDJ-UHFFFAOYSA-N
XLogP3.00
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 26544552
5-(azepan-1-ylsulfonyl)-2-methoxy-N,N-dimethylbenzamide
CID 7971089
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4846894
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51344518
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
2-methoxy-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982776
1-(4-fluoro-3-methoxyphenyl)sulfonylazepane
CID 8721927
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
2-methoxy-5-pyrrolidin-1-ylsulfonylbenzoyl chloride
CID 20982775
N,N-diethyl-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
CID 28590980
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(dimethylsulfamoyl)benzamide
CID 3963997
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
CID 9046765

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N,4-dimethylbenzenesulfonamide (CID 5178498) is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N,4-dimethylbenzenesulfonamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1N(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is LCUGWEZTUPRBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S2/c1-16-7-9-17(10-8-16)28(23,24)21(2)19-15-18(11-12-20(19)27-3)29(25,26)22-13-5-4-6-14-22/h7-12,15H,4-6,13-14H2,1-3H3.
What are the key properties of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N,4-dimethylbenzenesulfonamide?
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 438.57 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 5178498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).