N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide

C13H13N3O3S2 — CID 94192056

IUPACN-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
SMILESO=C(C[C@H]1C=CCC1)NS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C13H13N3O3S2/c17-12(8-9-4-1-2-5-9)16-21(18,19)11-7-3-6-10-13(11)15-20-14-10/h1,3-4,6-7,9H,2,5,8H2,(H,16,17)/t9-/m0/s1
InChIKeyHOVIENSBFOEGBD-VIFPVBQESA-N
MW323.40 g/mol
LogP1.85
Rot. Bonds4

About N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide

N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide (PubChem CID 94192056) has the molecular formula C13H13N3O3S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
PubChem CID94192056
Molecular FormulaC13H13N3O3S2
Molecular Weight323.40 g/mol
Exact Mass323.04
IUPAC NameN-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
SMILESO=C(C[C@H]1C=CCC1)NS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C13H13N3O3S2/c17-12(8-9-4-1-2-5-9)16-21(18,19)11-7-3-6-10-13(11)15-20-14-10/h1,3-4,6-7,9H,2,5,8H2,(H,16,17)/t9-/m0/s1
InChIKeyHOVIENSBFOEGBD-VIFPVBQESA-N
XLogP1.85
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide (CID 94192056) is N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide is O=C(C[C@H]1C=CCC1)NS(=O)(=O)c1cccc2nsnc12.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The InChIKey is HOVIENSBFOEGBD-VIFPVBQESA-N. The full InChI is InChI=1S/C13H13N3O3S2/c17-12(8-9-4-1-2-5-9)16-21(18,19)11-7-3-6-10-13(11)15-20-14-10/h1,3-4,6-7,9H,2,5,8H2,(H,16,17)/t9-/m0/s1.
What are the key properties of N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
N-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide has a molecular weight of 323.40 g/mol, XLogP of 1.85, 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-[(1S)-cyclopent-2-en-1-yl]acetamide is sourced from PubChem (CID 94192056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).