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

C16H15N3O2S2 — CID 100683139

IUPAC1-(3-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2nnc(-c3ccccc3)s2)c1
InChIInChI=1S/C16H15N3O2S2/c1-12-6-5-7-13(10-12)11-23(20,21)19-16-18-17-15(22-16)14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,18,19)
InChIKeyVUSSHFVMLPMQTK-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.46
Rot. Bonds5

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

1-(3-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide (PubChem CID 100683139) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
PubChem CID100683139
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name1-(3-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2nnc(-c3ccccc3)s2)c1
InChIInChI=1S/C16H15N3O2S2/c1-12-6-5-7-13(10-12)11-23(20,21)19-16-18-17-15(22-16)14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,18,19)
InChIKeyVUSSHFVMLPMQTK-UHFFFAOYSA-N
XLogP3.46
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanesulfonamide
CID 100609615
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoylmethyl]benzoic acid
CID 107641494
N-[2-[5-(benzylsulfonylamino)-1,3,4-thiadiazol-2-yl]ethyl]-4-methylbenzenesulfonamide
CID 17193206
1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
CID 27210154
1-[4-(aminomethyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 106082808
2-methyl-2-[3-[(3-methylphenyl)methylsulfonylamino]phenyl]propanoic acid
CID 167927121
[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 14091195
2,5-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 100714242
N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanesulfonamide
CID 2218579
N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(3-methylphenyl)methanesulfonamide
CID 86791972
3-(benzenesulfonamido)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 4250604
[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
CID 45263058

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The IUPAC name of 1-(3-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide (CID 100683139) is 1-(3-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The canonical SMILES for 1-(3-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide is Cc1cccc(CS(=O)(=O)Nc2nnc(-c3ccccc3)s2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The InChIKey is VUSSHFVMLPMQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-12-6-5-7-13(10-12)11-23(20,21)19-16-18-17-15(22-16)14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,18,19).
What are the key properties of 1-(3-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
1-(3-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide has a molecular weight of 345.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 100683139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).