N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3,5-difluorobenzenesulfonamide

C17H17ClF2N2O4S2 — CID 17479776

IUPACN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C17H17ClF2N2O4S2/c18-16-5-4-14(11-17(16)28(25,26)22-6-2-1-3-7-22)21-27(23,24)15-9-12(19)8-13(20)10-15/h4-5,8-11,21H,1-3,6-7H2
InChIKeyUZVKSUQHBZPVPP-UHFFFAOYSA-N
MW450.92 g/mol
LogP3.59
Rot. Bonds5

About N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3,5-difluorobenzenesulfonamide

N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3,5-difluorobenzenesulfonamide (PubChem CID 17479776) has the molecular formula C17H17ClF2N2O4S2 and a molecular weight of 450.92 g/mol. Its IUPAC name is N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3,5-difluorobenzenesulfonamide
PubChem CID17479776
Molecular FormulaC17H17ClF2N2O4S2
Molecular Weight450.92 g/mol
Exact Mass450.03
IUPAC NameN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C17H17ClF2N2O4S2/c18-16-5-4-14(11-17(16)28(25,26)22-6-2-1-3-7-22)21-27(23,24)15-9-12(19)8-13(20)10-15/h4-5,8-11,21H,1-3,6-7H2
InChIKeyUZVKSUQHBZPVPP-UHFFFAOYSA-N
XLogP3.59
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.92
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3,5-difluorobenzenesulfonamide?
The IUPAC name of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3,5-difluorobenzenesulfonamide (CID 17479776) is N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3,5-difluorobenzenesulfonamide is O=S(=O)(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1cc(F)cc(F)c1.
What is the InChIKey of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3,5-difluorobenzenesulfonamide?
The InChIKey is UZVKSUQHBZPVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2N2O4S2/c18-16-5-4-14(11-17(16)28(25,26)22-6-2-1-3-7-22)21-27(23,24)15-9-12(19)8-13(20)10-15/h4-5,8-11,21H,1-3,6-7H2.
What are the key properties of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3,5-difluorobenzenesulfonamide?
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3,5-difluorobenzenesulfonamide has a molecular weight of 450.92 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 17479776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).