2-chloro-N-piperidin-4-yl-5-propylbenzenesulfonamide

C14H21ClN2O2S — CID 120998895

IUPAC2-chloro-N-piperidin-4-yl-5-propylbenzenesulfonamide
SMILESCCCc1ccc(Cl)c(S(=O)(=O)NC2CCNCC2)c1
InChIInChI=1S/C14H21ClN2O2S/c1-2-3-11-4-5-13(15)14(10-11)20(18,19)17-12-6-8-16-9-7-12/h4-5,10,12,16-17H,2-3,6-9H2,1H3
InChIKeyAHTSDLXFRPTFFW-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.32
Rot. Bonds5

About 2-chloro-N-piperidin-4-yl-5-propylbenzenesulfonamide

2-chloro-N-piperidin-4-yl-5-propylbenzenesulfonamide (PubChem CID 120998895) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 2-chloro-N-piperidin-4-yl-5-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-piperidin-4-yl-5-propylbenzenesulfonamide
PubChem CID120998895
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name2-chloro-N-piperidin-4-yl-5-propylbenzenesulfonamide
SMILESCCCc1ccc(Cl)c(S(=O)(=O)NC2CCNCC2)c1
InChIInChI=1S/C14H21ClN2O2S/c1-2-3-11-4-5-13(15)14(10-11)20(18,19)17-12-6-8-16-9-7-12/h4-5,10,12,16-17H,2-3,6-9H2,1H3
InChIKeyAHTSDLXFRPTFFW-UHFFFAOYSA-N
XLogP2.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-4-yl-4-propylbenzenesulfonamide
CID 43603347
2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 115752112
5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 119960783
2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960534
methyl 4-chloro-3-(piperidin-4-ylsulfamoyl)benzoate
CID 43603231
2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 28811083
2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960748
5-bromo-2,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 120706363
5-(aminomethyl)-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 106025172
2-chloro-5-(methylaminomethyl)-N-(thian-4-yl)benzenesulfonamide
CID 106084371
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999
2-chloro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000943

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-piperidin-4-yl-5-propylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-piperidin-4-yl-5-propylbenzenesulfonamide (CID 120998895) is 2-chloro-N-piperidin-4-yl-5-propylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-piperidin-4-yl-5-propylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-piperidin-4-yl-5-propylbenzenesulfonamide is CCCc1ccc(Cl)c(S(=O)(=O)NC2CCNCC2)c1.
What is the InChIKey of 2-chloro-N-piperidin-4-yl-5-propylbenzenesulfonamide?
The InChIKey is AHTSDLXFRPTFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-2-3-11-4-5-13(15)14(10-11)20(18,19)17-12-6-8-16-9-7-12/h4-5,10,12,16-17H,2-3,6-9H2,1H3.
What are the key properties of 2-chloro-N-piperidin-4-yl-5-propylbenzenesulfonamide?
2-chloro-N-piperidin-4-yl-5-propylbenzenesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-piperidin-4-yl-5-propylbenzenesulfonamide is sourced from PubChem (CID 120998895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).