N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide

C14H15N5O2S3 — CID 167983764

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(Nc1nnc(C2CCCCC2)s1)c1cccc2nsnc12
InChIInChI=1S/C14H15N5O2S3/c20-24(21,11-8-4-7-10-12(11)18-23-17-10)19-14-16-15-13(22-14)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,16,19)
InChIKeyFBIMMBWEUSJHMV-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.39
Rot. Bonds4

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 167983764) has the molecular formula C14H15N5O2S3 and a molecular weight of 381.51 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID167983764
Molecular FormulaC14H15N5O2S3
Molecular Weight381.51 g/mol
Exact Mass381.04
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(Nc1nnc(C2CCCCC2)s1)c1cccc2nsnc12
InChIInChI=1S/C14H15N5O2S3/c20-24(21,11-8-4-7-10-12(11)18-23-17-10)19-14-16-15-13(22-14)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,16,19)
InChIKeyFBIMMBWEUSJHMV-UHFFFAOYSA-N
XLogP3.39
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide (CID 167983764) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide is O=S(=O)(Nc1nnc(C2CCCCC2)s1)c1cccc2nsnc12.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is FBIMMBWEUSJHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S3/c20-24(21,11-8-4-7-10-12(11)18-23-17-10)19-14-16-15-13(22-14)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,16,19).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 381.51 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 167983764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).