8-chloro-N-(1,3,4-thiadiazol-2-yl)naphthalene-1-sulfonamide

C12H8ClN3O2S2 — CID 25042460

IUPAC8-chloro-N-(1,3,4-thiadiazol-2-yl)naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1nncs1)c1cccc2cccc(Cl)c12
InChIInChI=1S/C12H8ClN3O2S2/c13-9-5-1-3-8-4-2-6-10(11(8)9)20(17,18)16-12-15-14-7-19-12/h1-7H,(H,15,16)
InChIKeyXEHQCMYMABEUDJ-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.15
Rot. Bonds3

About 8-chloro-N-(1,3,4-thiadiazol-2-yl)naphthalene-1-sulfonamide

8-chloro-N-(1,3,4-thiadiazol-2-yl)naphthalene-1-sulfonamide (PubChem CID 25042460) has the molecular formula C12H8ClN3O2S2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 8-chloro-N-(1,3,4-thiadiazol-2-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name8-chloro-N-(1,3,4-thiadiazol-2-yl)naphthalene-1-sulfonamide
PubChem CID25042460
Molecular FormulaC12H8ClN3O2S2
Molecular Weight325.80 g/mol
Exact Mass324.97
IUPAC Name8-chloro-N-(1,3,4-thiadiazol-2-yl)naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1nncs1)c1cccc2cccc(Cl)c12
InChIInChI=1S/C12H8ClN3O2S2/c13-9-5-1-3-8-4-2-6-10(11(8)9)20(17,18)16-12-15-14-7-19-12/h1-7H,(H,15,16)
InChIKeyXEHQCMYMABEUDJ-UHFFFAOYSA-N
XLogP3.15
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-chloro-N-pyridin-2-ylnaphthalene-1-sulfonamide
CID 3810068
2-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 75389570
N-(1,3,4-thiadiazol-2-yl)quinoline-5-sulfonamide
CID 71909654
4-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 75389571
2,6-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 163353225
sodium 8-chloronaphthalene-1-sulfonate
CID 23667431
8-chloro-N-(cyanomethyl)naphthalene-1-sulfonamide
CID 25037675
8-chloro-N-[4-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3709253
8-chloro-N-[(2-chloro-6-fluorophenyl)methyl]naphthalene-1-sulfonamide
CID 3840065
8-chloro-N-[2-(trifluoromethoxy)phenyl]naphthalene-1-sulfonamide
CID 3788061
1-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 4654981
2-chloro-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-sulfonamide
CID 43456473

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(1,3,4-thiadiazol-2-yl)naphthalene-1-sulfonamide?
The IUPAC name of 8-chloro-N-(1,3,4-thiadiazol-2-yl)naphthalene-1-sulfonamide (CID 25042460) is 8-chloro-N-(1,3,4-thiadiazol-2-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for 8-chloro-N-(1,3,4-thiadiazol-2-yl)naphthalene-1-sulfonamide?
The canonical SMILES for 8-chloro-N-(1,3,4-thiadiazol-2-yl)naphthalene-1-sulfonamide is O=S(=O)(Nc1nncs1)c1cccc2cccc(Cl)c12.
What is the InChIKey of 8-chloro-N-(1,3,4-thiadiazol-2-yl)naphthalene-1-sulfonamide?
The InChIKey is XEHQCMYMABEUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O2S2/c13-9-5-1-3-8-4-2-6-10(11(8)9)20(17,18)16-12-15-14-7-19-12/h1-7H,(H,15,16).
What are the key properties of 8-chloro-N-(1,3,4-thiadiazol-2-yl)naphthalene-1-sulfonamide?
8-chloro-N-(1,3,4-thiadiazol-2-yl)naphthalene-1-sulfonamide has a molecular weight of 325.80 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(1,3,4-thiadiazol-2-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 25042460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).