2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

C18H21FN2O4S2 — CID 5183850

IUPAC2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C18H21FN2O4S2/c1-14-9-10-15(27(24,25)21-11-5-2-6-12-21)13-17(14)20-26(22,23)18-8-4-3-7-16(18)19/h3-4,7-10,13,20H,2,5-6,11-12H2,1H3
InChIKeyUKRUPNSNVMQQOZ-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.11
Rot. Bonds5

About 2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 5183850) has the molecular formula C18H21FN2O4S2 and a molecular weight of 412.51 g/mol. Its IUPAC name is 2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
PubChem CID5183850
Molecular FormulaC18H21FN2O4S2
Molecular Weight412.51 g/mol
Exact Mass412.09
IUPAC Name2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C18H21FN2O4S2/c1-14-9-10-15(27(24,25)21-11-5-2-6-12-21)13-17(14)20-26(22,23)18-8-4-3-7-16(18)19/h3-4,7-10,13,20H,2,5-6,11-12H2,1H3
InChIKeyUKRUPNSNVMQQOZ-UHFFFAOYSA-N
XLogP3.11
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide (CID 5183850) is 2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is UKRUPNSNVMQQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S2/c1-14-9-10-15(27(24,25)21-11-5-2-6-12-21)13-17(14)20-26(22,23)18-8-4-3-7-16(18)19/h3-4,7-10,13,20H,2,5-6,11-12H2,1H3.
What are the key properties of 2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 412.51 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 5183850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).