N-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide

C12H15N3O2S2 — CID 692311

IUPACN-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1cccc2nsnc12
InChIInChI=1S/C12H15N3O2S2/c16-19(17,15-9-5-2-1-3-6-9)11-8-4-7-10-12(11)14-18-13-10/h4,7-9,15H,1-3,5-6H2
InChIKeyPHRKCXRQEFFHDI-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.30
Rot. Bonds3

About N-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide

N-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 692311) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID692311
Molecular FormulaC12H15N3O2S2
Molecular Weight297.40 g/mol
Exact Mass297.06
IUPAC NameN-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1cccc2nsnc12
InChIInChI=1S/C12H15N3O2S2/c16-19(17,15-9-5-2-1-3-6-9)11-8-4-7-10-12(11)14-18-13-10/h4,7-9,15H,1-3,5-6H2
InChIKeyPHRKCXRQEFFHDI-UHFFFAOYSA-N
XLogP2.30
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide (CID 692311) is N-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide is O=S(=O)(NC1CCCCC1)c1cccc2nsnc12.
What is the InChIKey of N-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is PHRKCXRQEFFHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c16-19(17,15-9-5-2-1-3-6-9)11-8-4-7-10-12(11)14-18-13-10/h4,7-9,15H,1-3,5-6H2.
What are the key properties of N-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide?
N-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 692311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).