N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide

C17H19FN2O4S2 — CID 55559756

IUPACN-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1F)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H19FN2O4S2/c18-16-6-2-3-7-17(16)19-25(21,22)14-8-10-15(11-9-14)26(23,24)20-12-4-1-5-13-20/h2-3,6-11,19H,1,4-5,12-13H2
InChIKeyNSSKLIZQETVYDO-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.80
Rot. Bonds5

About N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide

N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 55559756) has the molecular formula C17H19FN2O4S2 and a molecular weight of 398.48 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
PubChem CID55559756
Molecular FormulaC17H19FN2O4S2
Molecular Weight398.48 g/mol
Exact Mass398.08
IUPAC NameN-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1F)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H19FN2O4S2/c18-16-6-2-3-7-17(16)19-25(21,22)14-8-10-15(11-9-14)26(23,24)20-12-4-1-5-13-20/h2-3,6-11,19H,1,4-5,12-13H2
InChIKeyNSSKLIZQETVYDO-UHFFFAOYSA-N
XLogP2.80
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168514445
N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 2696858
2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2337095
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 134034160
N-(2-benzylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 26979760
N-(2-fluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083962
N-(2-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 55895716
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chlorobenzenesulfonamide
CID 19684562
N-[(2-fluorophenyl)methyl]-4-piperidin-1-ylsulfonylaniline
CID 110826359
2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1086858
N-(2,6-dimethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 8504701
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 56508356

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide (CID 55559756) is N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide is O=S(=O)(Nc1ccccc1F)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is NSSKLIZQETVYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S2/c18-16-6-2-3-7-17(16)19-25(21,22)14-8-10-15(11-9-14)26(23,24)20-12-4-1-5-13-20/h2-3,6-11,19H,1,4-5,12-13H2.
What are the key properties of N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide?
N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 398.48 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 55559756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).