N-(2-aminopropyl)-2,1,3-benzothiadiazole-4-sulfonamide

C9H12N4O2S2 — CID 63732959

IUPACN-(2-aminopropyl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCC(N)CNS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C9H12N4O2S2/c1-6(10)5-11-17(14,15)8-4-2-3-7-9(8)13-16-12-7/h2-4,6,11H,5,10H2,1H3
InChIKeyHBHWPPBIWCLTNQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.32
Rot. Bonds4

About N-(2-aminopropyl)-2,1,3-benzothiadiazole-4-sulfonamide

N-(2-aminopropyl)-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 63732959) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(2-aminopropyl)-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID63732959
Molecular FormulaC9H12N4O2S2
Molecular Weight272.35 g/mol
Exact Mass272.04
IUPAC NameN-(2-aminopropyl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCC(N)CNS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C9H12N4O2S2/c1-6(10)5-11-17(14,15)8-4-2-3-7-9(8)13-16-12-7/h2-4,6,11H,5,10H2,1H3
InChIKeyHBHWPPBIWCLTNQ-UHFFFAOYSA-N
XLogP0.32
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorobutyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 65033045
N-[2-(methylamino)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 62657997
N-butyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 3377484
N-[(2R)-1-hydroxypropan-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 79027696
N-prop-2-enyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 3109773
N-(4-propan-2-ylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22773871
3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N'-hydroxypropanimidamide
CID 76953208
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 64558490
N-(2,6-dimethylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 5113255
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 122265336
N-[(2-bromophenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 61413865
N-[3-(aminomethyl)pentan-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 63888983

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-(2-aminopropyl)-2,1,3-benzothiadiazole-4-sulfonamide (CID 63732959) is N-(2-aminopropyl)-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-(2-aminopropyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-(2-aminopropyl)-2,1,3-benzothiadiazole-4-sulfonamide is CC(N)CNS(=O)(=O)c1cccc2nsnc12.
What is the InChIKey of N-(2-aminopropyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is HBHWPPBIWCLTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-6(10)5-11-17(14,15)8-4-2-3-7-9(8)13-16-12-7/h2-4,6,11H,5,10H2,1H3.
What are the key properties of N-(2-aminopropyl)-2,1,3-benzothiadiazole-4-sulfonamide?
N-(2-aminopropyl)-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 272.35 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 63732959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).