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

C15H16ClN3O3S2 — CID 1101757

IUPAC4-chloro-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C15H16ClN3O3S2/c16-12-5-4-11(14(20)18-15-17-6-9-23-15)10-13(12)24(21,22)19-7-2-1-3-8-19/h4-6,9-10H,1-3,7-8H2,(H,17,18,20)
InChIKeyYBDJXIBCMORRIJ-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.22
Rot. Bonds4

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

4-chloro-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 1101757) has the molecular formula C15H16ClN3O3S2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 4-chloro-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID1101757
Molecular FormulaC15H16ClN3O3S2
Molecular Weight385.90 g/mol
Exact Mass385.03
IUPAC Name4-chloro-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C15H16ClN3O3S2/c16-12-5-4-11(14(20)18-15-17-6-9-23-15)10-13(12)24(21,22)19-7-2-1-3-8-19/h4-6,9-10H,1-3,7-8H2,(H,17,18,20)
InChIKeyYBDJXIBCMORRIJ-UHFFFAOYSA-N
XLogP3.22
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-chloro-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide (CID 1101757) is 4-chloro-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-chloro-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is YBDJXIBCMORRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S2/c16-12-5-4-11(14(20)18-15-17-6-9-23-15)10-13(12)24(21,22)19-7-2-1-3-8-19/h4-6,9-10H,1-3,7-8H2,(H,17,18,20).
What are the key properties of 4-chloro-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
4-chloro-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 385.90 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 1101757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).