2-chloro-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-sulfonamide

C6H4ClN5O2S2 — CID 43456473

IUPAC2-chloro-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-sulfonamide
SMILESO=S(=O)(Nc1nncs1)c1cnc(Cl)nc1
InChIInChI=1S/C6H4ClN5O2S2/c7-5-8-1-4(2-9-5)16(13,14)12-6-11-10-3-15-6/h1-3H,(H,11,12)
InChIKeyCHIIAWYTIAUGRK-UHFFFAOYSA-N
MW277.72 g/mol
LogP0.78
Rot. Bonds3

About 2-chloro-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-sulfonamide

2-chloro-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-sulfonamide (PubChem CID 43456473) has the molecular formula C6H4ClN5O2S2 and a molecular weight of 277.72 g/mol. Its IUPAC name is 2-chloro-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-sulfonamide
PubChem CID43456473
Molecular FormulaC6H4ClN5O2S2
Molecular Weight277.72 g/mol
Exact Mass276.95
IUPAC Name2-chloro-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-sulfonamide
SMILESO=S(=O)(Nc1nncs1)c1cnc(Cl)nc1
InChIInChI=1S/C6H4ClN5O2S2/c7-5-8-1-4(2-9-5)16(13,14)12-6-11-10-3-15-6/h1-3H,(H,11,12)
InChIKeyCHIIAWYTIAUGRK-UHFFFAOYSA-N
XLogP0.78
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-sulfonamide (CID 43456473) is 2-chloro-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-sulfonamide is O=S(=O)(Nc1nncs1)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-sulfonamide?
The InChIKey is CHIIAWYTIAUGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN5O2S2/c7-5-8-1-4(2-9-5)16(13,14)12-6-11-10-3-15-6/h1-3H,(H,11,12).
What are the key properties of 2-chloro-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-sulfonamide?
2-chloro-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-sulfonamide has a molecular weight of 277.72 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 43456473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).