1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide

C18H17FN4O3S2 — CID 2328756

IUPAC1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1
InChIInChI=1S/C18H17FN4O3S2/c19-13-3-1-4-14(11-13)20-18(24)12-7-9-23(10-8-12)28(25,26)16-6-2-5-15-17(16)22-27-21-15/h1-6,11-12H,7-10H2,(H,20,24)
InChIKeyNENFTEHXMOVMSG-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.87
Rot. Bonds4

About 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide

1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide (PubChem CID 2328756) has the molecular formula C18H17FN4O3S2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
PubChem CID2328756
Molecular FormulaC18H17FN4O3S2
Molecular Weight420.49 g/mol
Exact Mass420.07
IUPAC Name1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1
InChIInChI=1S/C18H17FN4O3S2/c19-13-3-1-4-14(11-13)20-18(24)12-7-9-23(10-8-12)28(25,26)16-6-2-5-15-17(16)22-27-21-15/h1-6,11-12H,7-10H2,(H,20,24)
InChIKeyNENFTEHXMOVMSG-UHFFFAOYSA-N
XLogP2.87
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide (CID 2328756) is 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide is O=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1.
What is the InChIKey of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is NENFTEHXMOVMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S2/c19-13-3-1-4-14(11-13)20-18(24)12-7-9-23(10-8-12)28(25,26)16-6-2-5-15-17(16)22-27-21-15/h1-6,11-12H,7-10H2,(H,20,24).
What are the key properties of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide?
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 2328756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).