3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide

C12H16ClN3O3S — CID 126831791

IUPAC3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide
SMILESNS(=O)(=O)N1CCC(NC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H16ClN3O3S/c13-10-3-1-2-9(8-10)12(17)15-11-4-6-16(7-5-11)20(14,18)19/h1-3,8,11H,4-7H2,(H,15,17)(H2,14,18,19)
InChIKeyOXLHXRKBHKGAHD-UHFFFAOYSA-N
MW317.80 g/mol
LogP0.74
Rot. Bonds3

About 3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide

3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide (PubChem CID 126831791) has the molecular formula C12H16ClN3O3S and a molecular weight of 317.80 g/mol. Its IUPAC name is 3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide
PubChem CID126831791
Molecular FormulaC12H16ClN3O3S
Molecular Weight317.80 g/mol
Exact Mass317.06
IUPAC Name3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide
SMILESNS(=O)(=O)N1CCC(NC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H16ClN3O3S/c13-10-3-1-2-9(8-10)12(17)15-11-4-6-16(7-5-11)20(14,18)19/h1-3,8,11H,4-7H2,(H,15,17)(H2,14,18,19)
InChIKeyOXLHXRKBHKGAHD-UHFFFAOYSA-N
XLogP0.74
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[1-(dimethylsulfamoyl)piperidin-4-yl]benzamide
CID 110823144
3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 110823059
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide
CID 108550695
3-chloro-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
CID 126834663
3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 46463549
2-chloroethyl 4-[(3-chlorobenzoyl)amino]piperidine-1-carboxylate
CID 108559884
4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 44754288
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
N-[(2S)-3-amino-1-azabicyclo[2.2.2]octan-2-yl]-3-chlorobenzamide
CID 54469785

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide?
The IUPAC name of 3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide (CID 126831791) is 3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide is NS(=O)(=O)N1CCC(NC(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide?
The InChIKey is OXLHXRKBHKGAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3S/c13-10-3-1-2-9(8-10)12(17)15-11-4-6-16(7-5-11)20(14,18)19/h1-3,8,11H,4-7H2,(H,15,17)(H2,14,18,19).
What are the key properties of 3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide?
3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide has a molecular weight of 317.80 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide is sourced from PubChem (CID 126831791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).