N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

C13H10N4O2S2 — CID 4915020

IUPACN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nnc(-c2ccncc2)s1)c1ccccc1
InChIInChI=1S/C13H10N4O2S2/c18-21(19,11-4-2-1-3-5-11)17-13-16-15-12(20-13)10-6-8-14-9-7-10/h1-9H,(H,16,17)
InChIKeyPVAMKLJXSOCNSM-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.40
Rot. Bonds4

About N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 4915020) has the molecular formula C13H10N4O2S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID4915020
Molecular FormulaC13H10N4O2S2
Molecular Weight318.38 g/mol
Exact Mass318.02
IUPAC NameN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nnc(-c2ccncc2)s1)c1ccccc1
InChIInChI=1S/C13H10N4O2S2/c18-21(19,11-4-2-1-3-5-11)17-13-16-15-12(20-13)10-6-8-14-9-7-10/h1-9H,(H,16,17)
InChIKeyPVAMKLJXSOCNSM-UHFFFAOYSA-N
XLogP2.40
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 35523784
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 66905609
5-phenyl-N-pyridin-4-yl-1,3,4-thiadiazol-2-amine
CID 5147983
1,4,4-trimethyl-2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3H-quinoline-6-sulfonamide
CID 91958551
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanesulfonamide
CID 100609615
4-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 1451440
N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
CID 52936734
4-ethoxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 100727124
N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzenesulfonamide
CID 58692572
5-(benzenesulfonamido)-2-chloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100688864
(E)-3-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 744044
2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 45006642

Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 4915020) is N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nnc(-c2ccncc2)s1)c1ccccc1.
What is the InChIKey of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is PVAMKLJXSOCNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S2/c18-21(19,11-4-2-1-3-5-11)17-13-16-15-12(20-13)10-6-8-14-9-7-10/h1-9H,(H,16,17).
What are the key properties of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 318.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 4915020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).