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

C15H21ClN2O3S — CID 110823059

IUPAC3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H21ClN2O3S/c1-2-10-22(20,21)18-8-6-14(7-9-18)17-15(19)12-4-3-5-13(16)11-12/h3-5,11,14H,2,6-10H2,1H3,(H,17,19)
InChIKeyPTWWSERAFKCDHJ-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.27
Rot. Bonds5

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

3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide (PubChem CID 110823059) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is 3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide
PubChem CID110823059
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H21ClN2O3S/c1-2-10-22(20,21)18-8-6-14(7-9-18)17-15(19)12-4-3-5-13(16)11-12/h3-5,11,14H,2,6-10H2,1H3,(H,17,19)
InChIKeyPTWWSERAFKCDHJ-UHFFFAOYSA-N
XLogP2.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide
CID 126831791
3-chloro-N-[1-(dimethylsulfamoyl)piperidin-4-yl]benzamide
CID 110823144
N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide
CID 110823002
5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide
CID 78950028
2-methyl-1,3-dioxo-N-(1-propylsulfonylpiperidin-4-yl)isoindole-5-carboxamide
CID 46456097
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide
CID 110346034
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 55695101
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 43425928
methyl 3-[(1-propylsulfonylpiperidin-4-yl)carbamoylamino]benzoate
CID 47040076
4-(3-chlorophenoxy)-1-propylsulfonylpiperidine
CID 110358892

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide?
The IUPAC name of 3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide (CID 110823059) is 3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide is CCCS(=O)(=O)N1CCC(NC(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide?
The InChIKey is PTWWSERAFKCDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-2-10-22(20,21)18-8-6-14(7-9-18)17-15(19)12-4-3-5-13(16)11-12/h3-5,11,14H,2,6-10H2,1H3,(H,17,19).
What are the key properties of 3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide?
3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide has a molecular weight of 344.86 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide is sourced from PubChem (CID 110823059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).