N-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]methanesulfonamide

C12H9ClN4O2S3 — CID 11740050

IUPACN-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nnc(Sc2ccnc3cc(Cl)ccc23)s1
InChIInChI=1S/C12H9ClN4O2S3/c1-22(18,19)17-11-15-16-12(21-11)20-10-4-5-14-9-6-7(13)2-3-8(9)10/h2-6H,1H3,(H,15,17)
InChIKeyJVRJTPAZNKZWDV-UHFFFAOYSA-N
MW372.88 g/mol
LogP3.26
Rot. Bonds4

About N-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]methanesulfonamide

N-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]methanesulfonamide (PubChem CID 11740050) has the molecular formula C12H9ClN4O2S3 and a molecular weight of 372.88 g/mol. Its IUPAC name is N-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]methanesulfonamide
PubChem CID11740050
Molecular FormulaC12H9ClN4O2S3
Molecular Weight372.88 g/mol
Exact Mass371.96
IUPAC NameN-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nnc(Sc2ccnc3cc(Cl)ccc23)s1
InChIInChI=1S/C12H9ClN4O2S3/c1-22(18,19)17-11-15-16-12(21-11)20-10-4-5-14-9-6-7(13)2-3-8(9)10/h2-6H,1H3,(H,15,17)
InChIKeyJVRJTPAZNKZWDV-UHFFFAOYSA-N
XLogP3.26
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The IUPAC name of N-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]methanesulfonamide (CID 11740050) is N-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]methanesulfonamide.
What is the SMILES notation for N-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The canonical SMILES for N-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]methanesulfonamide is CS(=O)(=O)Nc1nnc(Sc2ccnc3cc(Cl)ccc23)s1.
What is the InChIKey of N-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The InChIKey is JVRJTPAZNKZWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O2S3/c1-22(18,19)17-11-15-16-12(21-11)20-10-4-5-14-9-6-7(13)2-3-8(9)10/h2-6H,1H3,(H,15,17).
What are the key properties of N-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]methanesulfonamide?
N-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]methanesulfonamide has a molecular weight of 372.88 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 11740050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).