3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide

C14H16N4O3S2 — CID 1101754

IUPAC3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C14H16N4O3S2/c19-13(16-14-17-15-10-22-14)11-5-4-6-12(9-11)23(20,21)18-7-2-1-3-8-18/h4-6,9-10H,1-3,7-8H2,(H,16,17,19)
InChIKeyIFHOXDUJFOWYOW-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.97
Rot. Bonds4

About 3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide

3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 1101754) has the molecular formula C14H16N4O3S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID1101754
Molecular FormulaC14H16N4O3S2
Molecular Weight352.44 g/mol
Exact Mass352.07
IUPAC Name3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C14H16N4O3S2/c19-13(16-14-17-15-10-22-14)11-5-4-6-12(9-11)23(20,21)18-7-2-1-3-8-18/h4-6,9-10H,1-3,7-8H2,(H,16,17,19)
InChIKeyIFHOXDUJFOWYOW-UHFFFAOYSA-N
XLogP1.97
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-pyrrolidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 9179278
3-(azepan-1-ylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 24506376
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(azepan-1-ylsulfonyl)benzamide
CID 24584483
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2130717
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 9438598
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 35865489
3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide
CID 4851259
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 3492947
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 5024814
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
3-(azepan-1-ylsulfonyl)-N-(4-bromo-2-pyridinyl)benzamide
CID 90342568
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 1101754) is 3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is IFHOXDUJFOWYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S2/c19-13(16-14-17-15-10-22-14)11-5-4-6-12(9-11)23(20,21)18-7-2-1-3-8-18/h4-6,9-10H,1-3,7-8H2,(H,16,17,19).
What are the key properties of 3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 352.44 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 1101754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).