N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide

C20H25N3O6S2 — CID 26848789

IUPACN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)c1
InChIInChI=1S/C20H25N3O6S2/c1-21-30(25,26)16-8-6-7-15(13-16)20(24)22-18-14-17(9-10-19(18)29-2)31(27,28)23-11-4-3-5-12-23/h6-10,13-14,21H,3-5,11-12H2,1-2H3,(H,22,24)
InChIKeyUHJFQZUHZDGQEH-UHFFFAOYSA-N
MW467.57 g/mol
LogP2.03
Rot. Bonds7

About N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide (PubChem CID 26848789) has the molecular formula C20H25N3O6S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide
PubChem CID26848789
Molecular FormulaC20H25N3O6S2
Molecular Weight467.57 g/mol
Exact Mass467.12
IUPAC NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)c1
InChIInChI=1S/C20H25N3O6S2/c1-21-30(25,26)16-8-6-7-15(13-16)20(24)22-18-14-17(9-10-19(18)29-2)31(27,28)23-11-4-3-5-12-23/h6-10,13-14,21H,3-5,11-12H2,1-2H3,(H,22,24)
InChIKeyUHJFQZUHZDGQEH-UHFFFAOYSA-N
XLogP2.03
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 9098514
3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46771385
3-(dimethylamino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7892910
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849
N-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26620585
3-(methylsulfamoyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 100619897
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
methyl 2-[3-[[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]carbamoyl]phenoxy]acetate
CID 55883959
N-[4-(methylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19257416
N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2682841
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 4849595
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(dimethylsulfamoyl)benzamide
CID 3963997

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide (CID 26848789) is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)c1.
What is the InChIKey of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide?
The InChIKey is UHJFQZUHZDGQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6S2/c1-21-30(25,26)16-8-6-7-15(13-16)20(24)22-18-14-17(9-10-19(18)29-2)31(27,28)23-11-4-3-5-12-23/h6-10,13-14,21H,3-5,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide?
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide has a molecular weight of 467.57 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 26848789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).