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

C10H13N3O2S2 — CID 3377484

IUPACN-butyl-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCCCCNS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C10H13N3O2S2/c1-2-3-7-11-17(14,15)9-6-4-5-8-10(9)13-16-12-8/h4-6,11H,2-3,7H2,1H3
InChIKeyBAOJDRGKFMZLCJ-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.77
Rot. Bonds5

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

N-butyl-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 3377484) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-butyl-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-butyl-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID3377484
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC NameN-butyl-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCCCCNS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C10H13N3O2S2/c1-2-3-7-11-17(14,15)9-6-4-5-8-10(9)13-16-12-8/h4-6,11H,2-3,7H2,1H3
InChIKeyBAOJDRGKFMZLCJ-UHFFFAOYSA-N
XLogP1.77
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylamino)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 62657997
N-(3-chlorobutyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 65033045
N-(2,1,3-benzothiadiazol-4-ylsulfonyl)pentanamide
CID 47271327
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 22207634
N-(2-aminopropyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 63732959
N-prop-2-enyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 3109773
3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N'-hydroxypropanimidamide
CID 76953208
(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)hexanoic acid
CID 104934694
N-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 22208688
N-butylquinoline-8-sulfonamide
CID 2068304
N-octyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 19681346
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 4053515

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-butyl-2,1,3-benzothiadiazole-4-sulfonamide (CID 3377484) is N-butyl-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-butyl-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-butyl-2,1,3-benzothiadiazole-4-sulfonamide is CCCCNS(=O)(=O)c1cccc2nsnc12.
What is the InChIKey of N-butyl-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is BAOJDRGKFMZLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-2-3-7-11-17(14,15)9-6-4-5-8-10(9)13-16-12-8/h4-6,11H,2-3,7H2,1H3.
What are the key properties of N-butyl-2,1,3-benzothiadiazole-4-sulfonamide?
N-butyl-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 271.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 3377484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).