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

C11H13N3O2S2 — CID 558425

IUPAC4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole
SMILESO=S(=O)(c1cccc2nsnc12)N1CCCCC1
InChIInChI=1S/C11H13N3O2S2/c15-18(16,14-7-2-1-3-8-14)10-6-4-5-9-11(10)13-17-12-9/h4-6H,1-3,7-8H2
InChIKeyNXOMFMSHYBXJTM-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.87
Rot. Bonds2

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

4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole (PubChem CID 558425) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole
PubChem CID558425
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole
SMILESO=S(=O)(c1cccc2nsnc12)N1CCCCC1
InChIInChI=1S/C11H13N3O2S2/c15-18(16,14-7-2-1-3-8-14)10-6-4-5-9-11(10)13-17-12-9/h4-6H,1-3,7-8H2
InChIKeyNXOMFMSHYBXJTM-UHFFFAOYSA-N
XLogP1.87
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.87
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-(Azepan-1-ylsulfonyl)-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-Methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole
CID 757158
4-(1-Piperidinylsulfonyl)-2,1,3-benzoxadiazole
CID 757177
N,N-Dimethyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 541928

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole?
The IUPAC name of 4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole (CID 558425) is 4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole?
The canonical SMILES for 4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole is O=S(=O)(c1cccc2nsnc12)N1CCCCC1.
What is the InChIKey of 4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole?
The InChIKey is NXOMFMSHYBXJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c15-18(16,14-7-2-1-3-8-14)10-6-4-5-9-11(10)13-17-12-9/h4-6H,1-3,7-8H2.
What are the key properties of 4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole?
4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole has a molecular weight of 283.38 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole is sourced from PubChem (CID 558425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).