3-[4-(dimethylsulfamoyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide

C15H20N6O4S2 — CID 134823499

IUPAC3-[4-(dimethylsulfamoyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2cccc(S(N)(=O)=O)c2C2NNNN2)cc1
InChIInChI=1S/C15H20N6O4S2/c1-21(2)27(24,25)11-8-6-10(7-9-11)12-4-3-5-13(26(16,22)23)14(12)15-17-19-20-18-15/h3-9,15,17-20H,1-2H3,(H2,16,22,23)
InChIKeyJMILMKXAVZGQBU-UHFFFAOYSA-N
MW412.50 g/mol
LogP-0.63
Rot. Bonds5

About 3-[4-(dimethylsulfamoyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide

3-[4-(dimethylsulfamoyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide (PubChem CID 134823499) has the molecular formula C15H20N6O4S2 and a molecular weight of 412.50 g/mol. Its IUPAC name is 3-[4-(dimethylsulfamoyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-[4-(dimethylsulfamoyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide
PubChem CID134823499
Molecular FormulaC15H20N6O4S2
Molecular Weight412.50 g/mol
Exact Mass412.10
IUPAC Name3-[4-(dimethylsulfamoyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2cccc(S(N)(=O)=O)c2C2NNNN2)cc1
InChIInChI=1S/C15H20N6O4S2/c1-21(2)27(24,25)11-8-6-10(7-9-11)12-4-3-5-13(26(16,22)23)14(12)15-17-19-20-18-15/h3-9,15,17-20H,1-2H3,(H2,16,22,23)
InChIKeyJMILMKXAVZGQBU-UHFFFAOYSA-N
XLogP-0.63
TPSA145.66 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 5-0.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylsulfamoyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide?
The IUPAC name of 3-[4-(dimethylsulfamoyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide (CID 134823499) is 3-[4-(dimethylsulfamoyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-[4-(dimethylsulfamoyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-[4-(dimethylsulfamoyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(-c2cccc(S(N)(=O)=O)c2C2NNNN2)cc1.
What is the InChIKey of 3-[4-(dimethylsulfamoyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide?
The InChIKey is JMILMKXAVZGQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O4S2/c1-21(2)27(24,25)11-8-6-10(7-9-11)12-4-3-5-13(26(16,22)23)14(12)15-17-19-20-18-15/h3-9,15,17-20H,1-2H3,(H2,16,22,23).
What are the key properties of 3-[4-(dimethylsulfamoyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide?
3-[4-(dimethylsulfamoyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide has a molecular weight of 412.50 g/mol, XLogP of -0.63, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylsulfamoyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 134823499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).