3-(methylsulfamoyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

C19H23N3O5S2 — CID 100619897

IUPAC3-(methylsulfamoyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C19H23N3O5S2/c1-20-28(24,25)18-7-5-6-15(14-18)19(23)21-16-8-10-17(11-9-16)29(26,27)22-12-3-2-4-13-22/h5-11,14,20H,2-4,12-13H2,1H3,(H,21,23)
InChIKeyULMDZIFRCZGPLQ-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.02
Rot. Bonds6

About 3-(methylsulfamoyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

3-(methylsulfamoyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 100619897) has the molecular formula C19H23N3O5S2 and a molecular weight of 437.54 g/mol. Its IUPAC name is 3-(methylsulfamoyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-(methylsulfamoyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID100619897
Molecular FormulaC19H23N3O5S2
Molecular Weight437.54 g/mol
Exact Mass437.11
IUPAC Name3-(methylsulfamoyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C19H23N3O5S2/c1-20-28(24,25)18-7-5-6-15(14-18)19(23)21-16-8-10-17(11-9-16)29(26,27)22-12-3-2-4-13-22/h5-11,14,20H,2-4,12-13H2,1H3,(H,21,23)
InChIKeyULMDZIFRCZGPLQ-UHFFFAOYSA-N
XLogP2.02
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(methylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19257416
3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3384883
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide
CID 26848789
3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide
CID 4851259
N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1250095
3-(azepan-1-ylsulfonyl)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 4793590
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 66872671
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
3-nitro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1011529
2-chloro-N-methyl-5-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 55835371
N-(4-butan-2-ylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17226901

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfamoyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-(methylsulfamoyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (CID 100619897) is 3-(methylsulfamoyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-(methylsulfamoyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-(methylsulfamoyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of 3-(methylsulfamoyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is ULMDZIFRCZGPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S2/c1-20-28(24,25)18-7-5-6-15(14-18)19(23)21-16-8-10-17(11-9-16)29(26,27)22-12-3-2-4-13-22/h5-11,14,20H,2-4,12-13H2,1H3,(H,21,23).
What are the key properties of 3-(methylsulfamoyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
3-(methylsulfamoyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 437.54 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfamoyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 100619897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).