4-chloro-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-sulfamoylbenzamide

C14H20ClN3O3S — CID 12492

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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 4-chloro-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-sulfamoylbenzamide

4-chloro-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-sulfamoylbenzamide (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 Name4-chloro-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-sulfamoylbenzamide
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 4-chloro-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-sulfamoylbenzamide (CID 12492) is 4-chloro-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-sulfamoylbenzamide is C[C@@H]1CCC[C@H](C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-sulfamoylbenzamide?
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 4-chloro-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-sulfamoylbenzamide?
4-chloro-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-sulfamoylbenzamide 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 4-chloro-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-sulfamoylbenzamide is sourced from PubChem (CID 12492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).