2,4-dichloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide

C14H14Cl2N4O3S2 — CID 1087728

IUPAC2,4-dichloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N4O3S2/c15-10-7-11(16)12(25(22,23)20-4-2-1-3-5-20)6-9(10)13(21)18-14-19-17-8-24-14/h6-8H,1-5H2,(H,18,19,21)
InChIKeyFIHDDBHGFMSZBZ-UHFFFAOYSA-N
MW421.33 g/mol
LogP3.27
Rot. Bonds4

About 2,4-dichloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide

2,4-dichloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 1087728) has the molecular formula C14H14Cl2N4O3S2 and a molecular weight of 421.33 g/mol. Its IUPAC name is 2,4-dichloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID1087728
Molecular FormulaC14H14Cl2N4O3S2
Molecular Weight421.33 g/mol
Exact Mass419.99
IUPAC Name2,4-dichloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N4O3S2/c15-10-7-11(16)12(25(22,23)20-4-2-1-3-5-20)6-9(10)13(21)18-14-19-17-8-24-14/h6-8H,1-5H2,(H,18,19,21)
InChIKeyFIHDDBHGFMSZBZ-UHFFFAOYSA-N
XLogP3.27
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 1101754
4-pyrrolidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 9179278
2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29369951
N-(4-acetyl-1,3-thiazol-2-yl)-2,4-dichloro-5-morpholin-4-ylsulfonylbenzamide
CID 55435294
2,4-dichloro-N-[(1-methylpyrazol-3-yl)methyl]-5-piperidin-1-ylsulfonylbenzamide
CID 19330894
N-(1-benzylpyrazol-4-yl)-2,4-dichloro-5-piperidin-1-ylsulfonylbenzamide
CID 19397502
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3344196
2,4-dichloro-N-[(1-ethylpyrazol-3-yl)methyl]-5-piperidin-1-ylsulfonylbenzamide
CID 19331140
2,4-dichloro-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 19397751
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 8762849
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2,4-dichloro-5-piperidin-1-ylsulfonylbenzamide
CID 19335854
2,4-dichloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 19286881

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2,4-dichloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 1087728) is 2,4-dichloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2,4-dichloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is FIHDDBHGFMSZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O3S2/c15-10-7-11(16)12(25(22,23)20-4-2-1-3-5-20)6-9(10)13(21)18-14-19-17-8-24-14/h6-8H,1-5H2,(H,18,19,21).
What are the key properties of 2,4-dichloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
2,4-dichloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 421.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 1087728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).