N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-cyclohexylacetamide

C14H17N3O3S2 — CID 71892250

IUPACN-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)NS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C14H17N3O3S2/c18-13(9-10-5-2-1-3-6-10)17-22(19,20)12-8-4-7-11-14(12)16-21-15-11/h4,7-8,10H,1-3,5-6,9H2,(H,17,18)
InChIKeyZUHSWNPBTGWJJJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.47
Rot. Bonds4

About N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-cyclohexylacetamide

N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-cyclohexylacetamide (PubChem CID 71892250) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-cyclohexylacetamide
PubChem CID71892250
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC NameN-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)NS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C14H17N3O3S2/c18-13(9-10-5-2-1-3-6-10)17-22(19,20)12-8-4-7-11-14(12)16-21-15-11/h4,7-8,10H,1-3,5-6,9H2,(H,17,18)
InChIKeyZUHSWNPBTGWJJJ-UHFFFAOYSA-N
XLogP2.47
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-cyclohexylacetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-cyclohexylacetamide (CID 71892250) is N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-cyclohexylacetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-cyclohexylacetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-cyclohexylacetamide is O=C(CC1CCCCC1)NS(=O)(=O)c1cccc2nsnc12.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-cyclohexylacetamide?
The InChIKey is ZUHSWNPBTGWJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c18-13(9-10-5-2-1-3-6-10)17-22(19,20)12-8-4-7-11-14(12)16-21-15-11/h4,7-8,10H,1-3,5-6,9H2,(H,17,18).
What are the key properties of N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-cyclohexylacetamide?
N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-cyclohexylacetamide has a molecular weight of 339.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-cyclohexylacetamide is sourced from PubChem (CID 71892250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).