N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanesulfonamide

C16H15N3O2S2 — CID 100609615

IUPACN-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanesulfonamide
SMILESCc1ccc(-c2nnc(NS(=O)(=O)Cc3ccccc3)s2)cc1
InChIInChI=1S/C16H15N3O2S2/c1-12-7-9-14(10-8-12)15-17-18-16(22-15)19-23(20,21)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,19)
InChIKeyBIHSOSFAJFOCSF-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.46
Rot. Bonds5

About N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanesulfonamide

N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanesulfonamide (PubChem CID 100609615) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanesulfonamide
PubChem CID100609615
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanesulfonamide
SMILESCc1ccc(-c2nnc(NS(=O)(=O)Cc3ccccc3)s2)cc1
InChIInChI=1S/C16H15N3O2S2/c1-12-7-9-14(10-8-12)15-17-18-16(22-15)19-23(20,21)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,19)
InChIKeyBIHSOSFAJFOCSF-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

2-Amino-5-(4-methylphenyl)-1,3,4-thiadiazole
CID 605582
N-(5-phenyl-1,3,4-thiadiazol-2-yl)sulfamide
CID 44571849
N-(5-Phenethyl-[1,3,4]thiadiazol-2-yl)-methanesulfonamide
CID 1094110
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanesulfonamide
CID 795491
4'-(5-Amino-1,3,4-thiadiazol-2-yl)-N-(tert-butyl)-3'-fluoro-[1,1'-biphenyl]-2-sulfonamide
CID 90313954
N-(5-benzyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 855323
2-amino-5-phenyl-1,3,4-thiadiazole sulfate salt
CID 16213087
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylmethanesulfonamide
CID 975740
5-(4-Phenylphenyl)-1,3,4-thiadiazol-2-amine
CID 3734655
Benzenesulfonamide, 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-methyl-
CID 158673
1-phenyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 769164
2-(Benzylsulfonylmethyl)-5-phenyl-1,3,4-thiadiazole
CID 42630849

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanesulfonamide (CID 100609615) is N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanesulfonamide is Cc1ccc(-c2nnc(NS(=O)(=O)Cc3ccccc3)s2)cc1.
What is the InChIKey of N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanesulfonamide?
The InChIKey is BIHSOSFAJFOCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-12-7-9-14(10-8-12)15-17-18-16(22-15)19-23(20,21)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,19).
What are the key properties of N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanesulfonamide?
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanesulfonamide 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 N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 100609615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).