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

C14H15ClN4O3S2 — CID 1087750

IUPAC2-chloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C14H15ClN4O3S2/c15-12-5-4-10(24(21,22)19-6-2-1-3-7-19)8-11(12)13(20)17-14-18-16-9-23-14/h4-5,8-9H,1-3,6-7H2,(H,17,18,20)
InChIKeyQGLCIVJOVPTWAL-UHFFFAOYSA-N
MW386.89 g/mol
LogP2.62
Rot. Bonds4

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

2-chloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 1087750) has the molecular formula C14H15ClN4O3S2 and a molecular weight of 386.89 g/mol. Its IUPAC name is 2-chloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID1087750
Molecular FormulaC14H15ClN4O3S2
Molecular Weight386.89 g/mol
Exact Mass386.03
IUPAC Name2-chloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C14H15ClN4O3S2/c15-12-5-4-10(24(21,22)19-6-2-1-3-7-19)8-11(12)13(20)17-14-18-16-9-23-14/h4-5,8-9H,1-3,6-7H2,(H,17,18,20)
InChIKeyQGLCIVJOVPTWAL-UHFFFAOYSA-N
XLogP2.62
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.89
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-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 2-chloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 1087750) is 2-chloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is QGLCIVJOVPTWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O3S2/c15-12-5-4-10(24(21,22)19-6-2-1-3-7-19)8-11(12)13(20)17-14-18-16-9-23-14/h4-5,8-9H,1-3,6-7H2,(H,17,18,20).
What are the key properties of 2-chloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
2-chloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 386.89 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 1087750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).