N-phenyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide

C15H13N3O2S2 — CID 46933658

IUPACN-phenyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
SMILESO=S(=O)(Cc1nnc(-c2ccccc2)s1)Nc1ccccc1
InChIInChI=1S/C15H13N3O2S2/c19-22(20,18-13-9-5-2-6-10-13)11-14-16-17-15(21-14)12-7-3-1-4-8-12/h1-10,18H,11H2
InChIKeyARMQTXUYSUPJKR-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.15
Rot. Bonds5

About N-phenyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide

N-phenyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide (PubChem CID 46933658) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-phenyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-phenyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
PubChem CID46933658
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC NameN-phenyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
SMILESO=S(=O)(Cc1nnc(-c2ccccc2)s1)Nc1ccccc1
InChIInChI=1S/C15H13N3O2S2/c19-22(20,18-13-9-5-2-6-10-13)11-14-16-17-15(21-14)12-7-3-1-4-8-12/h1-10,18H,11H2
InChIKeyARMQTXUYSUPJKR-UHFFFAOYSA-N
XLogP3.15
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The IUPAC name of N-phenyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide (CID 46933658) is N-phenyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide.
What is the SMILES notation for N-phenyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The canonical SMILES for N-phenyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide is O=S(=O)(Cc1nnc(-c2ccccc2)s1)Nc1ccccc1.
What is the InChIKey of N-phenyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The InChIKey is ARMQTXUYSUPJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c19-22(20,18-13-9-5-2-6-10-13)11-14-16-17-15(21-14)12-7-3-1-4-8-12/h1-10,18H,11H2.
What are the key properties of N-phenyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
N-phenyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide has a molecular weight of 331.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 46933658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).