4-(benzenesulfonyl)-N-(pyridin-3-ylmethylsulfamoyl)aniline

C18H17N3O4S2 — CID 71734843

IUPAC4-(benzenesulfonyl)-N-(pyridin-3-ylmethylsulfamoyl)aniline
SMILESO=S(=O)(NCc1cccnc1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H17N3O4S2/c22-26(23,17-6-2-1-3-7-17)18-10-8-16(9-11-18)21-27(24,25)20-14-15-5-4-12-19-13-15/h1-13,20-21H,14H2
InChIKeyFCSHFPQGBURWDK-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.36
Rot. Bonds7

About 4-(benzenesulfonyl)-N-(pyridin-3-ylmethylsulfamoyl)aniline

4-(benzenesulfonyl)-N-(pyridin-3-ylmethylsulfamoyl)aniline (PubChem CID 71734843) has the molecular formula C18H17N3O4S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(pyridin-3-ylmethylsulfamoyl)aniline.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(pyridin-3-ylmethylsulfamoyl)aniline
PubChem CID71734843
Molecular FormulaC18H17N3O4S2
Molecular Weight403.49 g/mol
Exact Mass403.07
IUPAC Name4-(benzenesulfonyl)-N-(pyridin-3-ylmethylsulfamoyl)aniline
SMILESO=S(=O)(NCc1cccnc1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H17N3O4S2/c22-26(23,17-6-2-1-3-7-17)18-10-8-16(9-11-18)21-27(24,25)20-14-15-5-4-12-19-13-15/h1-13,20-21H,14H2
InChIKeyFCSHFPQGBURWDK-UHFFFAOYSA-N
XLogP2.36
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(pyridin-3-ylmethylsulfamoyl)aniline?
The IUPAC name of 4-(benzenesulfonyl)-N-(pyridin-3-ylmethylsulfamoyl)aniline (CID 71734843) is 4-(benzenesulfonyl)-N-(pyridin-3-ylmethylsulfamoyl)aniline.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(pyridin-3-ylmethylsulfamoyl)aniline?
The canonical SMILES for 4-(benzenesulfonyl)-N-(pyridin-3-ylmethylsulfamoyl)aniline is O=S(=O)(NCc1cccnc1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-N-(pyridin-3-ylmethylsulfamoyl)aniline?
The InChIKey is FCSHFPQGBURWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S2/c22-26(23,17-6-2-1-3-7-17)18-10-8-16(9-11-18)21-27(24,25)20-14-15-5-4-12-19-13-15/h1-13,20-21H,14H2.
What are the key properties of 4-(benzenesulfonyl)-N-(pyridin-3-ylmethylsulfamoyl)aniline?
4-(benzenesulfonyl)-N-(pyridin-3-ylmethylsulfamoyl)aniline has a molecular weight of 403.49 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(pyridin-3-ylmethylsulfamoyl)aniline is sourced from PubChem (CID 71734843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).