3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide

C14H20F2N2O2S — CID 22772626

IUPAC3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide
SMILESCCCN1CCC(NS(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H20F2N2O2S/c1-2-7-18-8-5-11(6-9-18)17-21(19,20)12-3-4-13(15)14(16)10-12/h3-4,10-11,17H,2,5-9H2,1H3
InChIKeyDJMALJSMPVRQJE-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.12
Rot. Bonds5

About 3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide

3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide (PubChem CID 22772626) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is 3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide
PubChem CID22772626
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC Name3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide
SMILESCCCN1CCC(NS(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H20F2N2O2S/c1-2-7-18-8-5-11(6-9-18)17-21(19,20)12-3-4-13(15)14(16)10-12/h3-4,10-11,17H,2,5-9H2,1H3
InChIKeyDJMALJSMPVRQJE-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfonyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 55538300
N-[1-(cyclohexylmethyl)piperidin-4-yl]-3,4-difluorobenzenesulfonamide
CID 51127509
4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide
CID 82844406
4-propan-2-yl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 51110179
N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091
3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 51204299
4-chloro-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide
CID 60605262
3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55906495
2-fluoro-4,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 134006741
2-nitro-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 22772629
2,5-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 60664808
2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 61059201

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide (CID 22772626) is 3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide is CCCN1CCC(NS(=O)(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is DJMALJSMPVRQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-2-7-18-8-5-11(6-9-18)17-21(19,20)12-3-4-13(15)14(16)10-12/h3-4,10-11,17H,2,5-9H2,1H3.
What are the key properties of 3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide?
3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 318.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 22772626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).