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

C13H9ClN4O2S2 — CID 118077526

IUPAC2-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccccn2)ns1)c1ccccc1Cl
InChIInChI=1S/C13H9ClN4O2S2/c14-9-5-1-2-7-11(9)22(19,20)18-13-16-12(17-21-13)10-6-3-4-8-15-10/h1-8H,(H,16,17,18)
InChIKeyWLGNMKNMCQEPPX-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.05
Rot. Bonds4

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

2-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 118077526) has the molecular formula C13H9ClN4O2S2 and a molecular weight of 352.83 g/mol. Its IUPAC name is 2-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID118077526
Molecular FormulaC13H9ClN4O2S2
Molecular Weight352.83 g/mol
Exact Mass351.99
IUPAC Name2-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccccn2)ns1)c1ccccc1Cl
InChIInChI=1S/C13H9ClN4O2S2/c14-9-5-1-2-7-11(9)22(19,20)18-13-16-12(17-21-13)10-6-3-4-8-15-10/h1-8H,(H,16,17,18)
InChIKeyWLGNMKNMCQEPPX-UHFFFAOYSA-N
XLogP3.05
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpropyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine
CID 65268791
3-chloro-2-methyl-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 21081312
3-chloro-2-methyl-N-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 21081314
N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chlorobenzenesulfonamide
CID 3395522
2-chloro-N-(3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2826028
2-chloro-N-quinolin-6-ylbenzenesulfonamide
CID 25040814
2,5-dichloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
CID 11373686
2-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 5147339
3-chloro-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide
CID 21081335
N-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide
CID 28970981
2-[(2-chlorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63946233
8-chloro-N-pyridin-2-ylnaphthalene-1-sulfonamide
CID 3810068

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 118077526) is 2-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1nc(-c2ccccn2)ns1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is WLGNMKNMCQEPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O2S2/c14-9-5-1-2-7-11(9)22(19,20)18-13-16-12(17-21-13)10-6-3-4-8-15-10/h1-8H,(H,16,17,18).
What are the key properties of 2-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
2-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 352.83 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118077526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).