N-prop-2-enyl-2,1,3-benzothiadiazole-4-sulfonamide

C9H9N3O2S2 — CID 3109773

IUPACN-prop-2-enyl-2,1,3-benzothiadiazole-4-sulfonamide
SMILESC=CCNS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C9H9N3O2S2/c1-2-6-10-16(13,14)8-5-3-4-7-9(8)12-15-11-7/h2-5,10H,1,6H2
InChIKeyKRRPWAYKZSRPKG-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.16
Rot. Bonds4

About N-prop-2-enyl-2,1,3-benzothiadiazole-4-sulfonamide

N-prop-2-enyl-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 3109773) has the molecular formula C9H9N3O2S2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-prop-2-enyl-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-prop-2-enyl-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID3109773
Molecular FormulaC9H9N3O2S2
Molecular Weight255.32 g/mol
Exact Mass255.01
IUPAC NameN-prop-2-enyl-2,1,3-benzothiadiazole-4-sulfonamide
SMILESC=CCNS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C9H9N3O2S2/c1-2-6-10-16(13,14)8-5-3-4-7-9(8)12-15-11-7/h2-5,10H,1,6H2
InChIKeyKRRPWAYKZSRPKG-UHFFFAOYSA-N
XLogP1.16
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-prop-2-enyl-2,1,3-benzothiadiazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(methylamino)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 62657997
N-butyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 3377484
N-(2-aminopropyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 63732959
N-(3-chlorobutyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 65033045
N-[(2-bromophenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 61413865
[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)quinoxalin-2-yl]-prop-2-enylazanide
CID 2021628
3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N'-hydroxypropanimidamide
CID 76953208
N-(pyrrolidin-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 62542530
N-(2,6-dimethylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 5113255
N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 146080846
N-(oxolan-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 2906606
N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 119101172

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-prop-2-enyl-2,1,3-benzothiadiazole-4-sulfonamide (CID 3109773) is N-prop-2-enyl-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-prop-2-enyl-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-prop-2-enyl-2,1,3-benzothiadiazole-4-sulfonamide is C=CCNS(=O)(=O)c1cccc2nsnc12.
What is the InChIKey of N-prop-2-enyl-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is KRRPWAYKZSRPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S2/c1-2-6-10-16(13,14)8-5-3-4-7-9(8)12-15-11-7/h2-5,10H,1,6H2.
What are the key properties of N-prop-2-enyl-2,1,3-benzothiadiazole-4-sulfonamide?
N-prop-2-enyl-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 255.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 3109773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).