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

C10H13N3O2S2 — CID 3236846

IUPACN-tert-butyl-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C10H13N3O2S2/c1-10(2,3)13-17(14,15)8-6-4-5-7-9(8)12-16-11-7/h4-6,13H,1-3H3
InChIKeyMWTKVTBMDVSPBB-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.77
Rot. Bonds2

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

N-tert-butyl-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 3236846) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-tert-butyl-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID3236846
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC NameN-tert-butyl-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C10H13N3O2S2/c1-10(2,3)13-17(14,15)8-6-4-5-7-9(8)12-16-11-7/h4-6,13H,1-3H3
InChIKeyMWTKVTBMDVSPBB-UHFFFAOYSA-N
XLogP1.77
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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

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Related Compounds

4-(Piperazine-1-sulfonyl)-2,1,3-benzothiadiazole
CID 931485
4-(Piperidine-1-sulfonyl)-2,1,3-benzothiadiazole
CID 558425
N-(2-ethylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 3626162
N-phenyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 3585479
N-(2,5-difluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 6465235
N-(2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 756494
2,1,3-Benzothiadiazole, 4-chlorosulfonyl-
CID 2735459
2,1,3-Benzothiadiazole-4-sulfonamide
CID 1382090
N-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 692311
N-(4-fluorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 716427
N-(4-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 756492
4-(4-Methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole
CID 757158

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-tert-butyl-2,1,3-benzothiadiazole-4-sulfonamide (CID 3236846) is N-tert-butyl-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-tert-butyl-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-tert-butyl-2,1,3-benzothiadiazole-4-sulfonamide is CC(C)(C)NS(=O)(=O)c1cccc2nsnc12.
What is the InChIKey of N-tert-butyl-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is MWTKVTBMDVSPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-10(2,3)13-17(14,15)8-6-4-5-7-9(8)12-16-11-7/h4-6,13H,1-3H3.
What are the key properties of N-tert-butyl-2,1,3-benzothiadiazole-4-sulfonamide?
N-tert-butyl-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 271.37 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 3236846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).