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Clopamide

C14H20ClN3O3S — CID 12492

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-chloro-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-sulfamoylbenzamide
SMILESC[C@@H]1CCC[C@H](C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H20ClN3O3S/c1-9-4-3-5-10(2)18(9)17-14(19)11-6-7-12(15)13(8-11)22(16,20)21/h6-10H,3-5H2,1-2H3,(H,17,19)(H2,16,20,21)/t9-,10+
InChIKeyLBXHRAWDUMTPSE-AOOOYVTPSA-N
MW345.85 g/mol
LogP1.90
Rot. Bonds3

About Clopamide

Clopamide (PubChem CID 12492) has the molecular formula C14H20ClN3O3S and a molecular weight of 345.85 g/mol. Its IUPAC name is 4-chloro-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-sulfamoylbenzamide.

Molecular Properties

Compound NameClopamide
PubChem CID12492
Molecular FormulaC14H20ClN3O3S
Molecular Weight345.85 g/mol
Exact Mass345.09
IUPAC Name4-chloro-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-sulfamoylbenzamide
SMILESC[C@@H]1CCC[C@H](C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H20ClN3O3S/c1-9-4-3-5-10(2)18(9)17-14(19)11-6-7-12(15)13(8-11)22(16,20)21/h6-10H,3-5H2,1-2H3,(H,17,19)(H2,16,20,21)/t9-,10+
InChIKeyLBXHRAWDUMTPSE-AOOOYVTPSA-N
XLogP1.90
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Clopamide?
The IUPAC name of Clopamide (CID 12492) is 4-chloro-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-sulfamoylbenzamide.
What is the SMILES notation for Clopamide?
The canonical SMILES for Clopamide is C[C@@H]1CCC[C@H](C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of Clopamide?
The InChIKey is LBXHRAWDUMTPSE-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H20ClN3O3S/c1-9-4-3-5-10(2)18(9)17-14(19)11-6-7-12(15)13(8-11)22(16,20)21/h6-10H,3-5H2,1-2H3,(H,17,19)(H2,16,20,21)/t9-,10+.
What are the key properties of Clopamide?
Clopamide has a molecular weight of 345.85 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Clopamide is sourced from PubChem (CID 12492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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