N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide

C15H14N4O2S2 — CID 71851447

IUPACN-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide
SMILESCc1ccc(Cc2nnc(NS(=O)(=O)c3cccnc3)s2)cc1
InChIInChI=1S/C15H14N4O2S2/c1-11-4-6-12(7-5-11)9-14-17-18-15(22-14)19-23(20,21)13-3-2-8-16-10-13/h2-8,10H,9H2,1H3,(H,18,19)
InChIKeyYTYBCWYKISLNLZ-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.63
Rot. Bonds5

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

N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide (PubChem CID 71851447) has the molecular formula C15H14N4O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide
PubChem CID71851447
Molecular FormulaC15H14N4O2S2
Molecular Weight346.44 g/mol
Exact Mass346.06
IUPAC NameN-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide
SMILESCc1ccc(Cc2nnc(NS(=O)(=O)c3cccnc3)s2)cc1
InChIInChI=1S/C15H14N4O2S2/c1-11-4-6-12(7-5-11)9-14-17-18-15(22-14)19-23(20,21)13-3-2-8-16-10-13/h2-8,10H,9H2,1H3,(H,18,19)
InChIKeyYTYBCWYKISLNLZ-UHFFFAOYSA-N
XLogP2.63
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide (CID 71851447) is N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide is Cc1ccc(Cc2nnc(NS(=O)(=O)c3cccnc3)s2)cc1.
What is the InChIKey of N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide?
The InChIKey is YTYBCWYKISLNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S2/c1-11-4-6-12(7-5-11)9-14-17-18-15(22-14)19-23(20,21)13-3-2-8-16-10-13/h2-8,10H,9H2,1H3,(H,18,19).
What are the key properties of N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide?
N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide has a molecular weight of 346.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 71851447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).