4-pyrrolidin-1-ylsulfonyl-2,1,3-benzothiadiazole

C10H11N3O2S2 — CID 3245186

IUPAC4-pyrrolidin-1-ylsulfonyl-2,1,3-benzothiadiazole
SMILESO=S(=O)(c1cccc2nsnc12)N1CCCC1
InChIInChI=1S/C10H11N3O2S2/c14-17(15,13-6-1-2-7-13)9-5-3-4-8-10(9)12-16-11-8/h3-5H,1-2,6-7H2
InChIKeyQGMNHTNEKIDLPZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.48
Rot. Bonds2

About 4-pyrrolidin-1-ylsulfonyl-2,1,3-benzothiadiazole

4-pyrrolidin-1-ylsulfonyl-2,1,3-benzothiadiazole (PubChem CID 3245186) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylsulfonyl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-pyrrolidin-1-ylsulfonyl-2,1,3-benzothiadiazole
PubChem CID3245186
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC Name4-pyrrolidin-1-ylsulfonyl-2,1,3-benzothiadiazole
SMILESO=S(=O)(c1cccc2nsnc12)N1CCCC1
InChIInChI=1S/C10H11N3O2S2/c14-17(15,13-6-1-2-7-13)9-5-3-4-8-10(9)12-16-11-8/h3-5H,1-2,6-7H2
InChIKeyQGMNHTNEKIDLPZ-UHFFFAOYSA-N
XLogP1.48
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Piperazine-1-sulfonyl)-2,1,3-benzothiadiazole
CID 931485
N,N-Diethyl-1-hydroxy-1H-benzotriazole-6-sulfonamide
CID 2478577
4-(Piperidine-1-sulfonyl)-2,1,3-benzothiadiazole
CID 558425
4-(1-Azepanylsulfonyl)-2,1,3-benzoxadiazole
CID 712284
4-[(3-Methylpiperidin-1-yl)sulfonyl]-2,1,3-benzoxadiazole
CID 2842396
N-phenyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 3585479
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
4-[(4-Methylpiperazinyl)sulfonyl]benzo[c]1,2,5-thiadiazole
CID 757158
4-Piperidin-1-ylsulfonyl-2,1,3-benzoxadiazole
CID 757177

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylsulfonyl-2,1,3-benzothiadiazole?
The IUPAC name of 4-pyrrolidin-1-ylsulfonyl-2,1,3-benzothiadiazole (CID 3245186) is 4-pyrrolidin-1-ylsulfonyl-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-pyrrolidin-1-ylsulfonyl-2,1,3-benzothiadiazole?
The canonical SMILES for 4-pyrrolidin-1-ylsulfonyl-2,1,3-benzothiadiazole is O=S(=O)(c1cccc2nsnc12)N1CCCC1.
What is the InChIKey of 4-pyrrolidin-1-ylsulfonyl-2,1,3-benzothiadiazole?
The InChIKey is QGMNHTNEKIDLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c14-17(15,13-6-1-2-7-13)9-5-3-4-8-10(9)12-16-11-8/h3-5H,1-2,6-7H2.
What are the key properties of 4-pyrrolidin-1-ylsulfonyl-2,1,3-benzothiadiazole?
4-pyrrolidin-1-ylsulfonyl-2,1,3-benzothiadiazole has a molecular weight of 269.35 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylsulfonyl-2,1,3-benzothiadiazole is sourced from PubChem (CID 3245186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).