2-chloro-6-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide

C14H20ClFN2O2S — CID 120712673

IUPAC2-chloro-6-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1c(F)cccc1Cl
InChIInChI=1S/C14H20ClFN2O2S/c1-2-10-18(11-6-8-17-9-7-11)21(19,20)14-12(15)4-3-5-13(14)16/h3-5,11,17H,2,6-10H2,1H3
InChIKeyCDRVSWYUPCYUQN-UHFFFAOYSA-N
MW334.84 g/mol
LogP2.63
Rot. Bonds5

About 2-chloro-6-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide

2-chloro-6-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide (PubChem CID 120712673) has the molecular formula C14H20ClFN2O2S and a molecular weight of 334.84 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
PubChem CID120712673
Molecular FormulaC14H20ClFN2O2S
Molecular Weight334.84 g/mol
Exact Mass334.09
IUPAC Name2-chloro-6-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1c(F)cccc1Cl
InChIInChI=1S/C14H20ClFN2O2S/c1-2-10-18(11-6-8-17-9-7-11)21(19,20)14-12(15)4-3-5-13(14)16/h3-5,11,17H,2,6-10H2,1H3
InChIKeyCDRVSWYUPCYUQN-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 60806599
2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 60807123
2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300848
2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976534
2-bromo-3-chloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709411
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,6-difluorobenzenesulfonamide
CID 38254380
2-methyl-6-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119994087
N-cyclopropyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577670
N-(azepan-4-yl)-2,6-difluoro-N-methylbenzenesulfonamide
CID 107173137
4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993817
5-bromo-2,4-difluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993959
4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide
CID 175760574

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide?
The IUPAC name of 2-chloro-6-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide (CID 120712673) is 2-chloro-6-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide?
The canonical SMILES for 2-chloro-6-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide is CCCN(C1CCNCC1)S(=O)(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide?
The InChIKey is CDRVSWYUPCYUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O2S/c1-2-10-18(11-6-8-17-9-7-11)21(19,20)14-12(15)4-3-5-13(14)16/h3-5,11,17H,2,6-10H2,1H3.
What are the key properties of 2-chloro-6-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide?
2-chloro-6-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide has a molecular weight of 334.84 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide is sourced from PubChem (CID 120712673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).