4-(2,2-difluoroethoxy)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]benzenesulfonamide

C15H20F2N2O4S — CID 164631747

IUPAC4-(2,2-difluoroethoxy)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]benzenesulfonamide
SMILESCC1(C)NC(=O)CC[C@@H]1NS(=O)(=O)c1ccc(OCC(F)F)cc1
InChIInChI=1S/C15H20F2N2O4S/c1-15(2)12(7-8-14(20)18-15)19-24(21,22)11-5-3-10(4-6-11)23-9-13(16)17/h3-6,12-13,19H,7-9H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyAJUQPTOPNOOFFO-LBPRGKRZSA-N
MW362.40 g/mol
LogP1.67
Rot. Bonds6

About 4-(2,2-difluoroethoxy)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]benzenesulfonamide

4-(2,2-difluoroethoxy)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]benzenesulfonamide (PubChem CID 164631747) has the molecular formula C15H20F2N2O4S and a molecular weight of 362.40 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]benzenesulfonamide
PubChem CID164631747
Molecular FormulaC15H20F2N2O4S
Molecular Weight362.40 g/mol
Exact Mass362.11
IUPAC Name4-(2,2-difluoroethoxy)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]benzenesulfonamide
SMILESCC1(C)NC(=O)CC[C@@H]1NS(=O)(=O)c1ccc(OCC(F)F)cc1
InChIInChI=1S/C15H20F2N2O4S/c1-15(2)12(7-8-14(20)18-15)19-24(21,22)11-5-3-10(4-6-11)23-9-13(16)17/h3-6,12-13,19H,7-9H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyAJUQPTOPNOOFFO-LBPRGKRZSA-N
XLogP1.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-difluoroethoxy)-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 75477000
4-(2,2-difluoroethoxy)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707154
N-(2-amino-1-cyclohexylethyl)-4-(2,2-difluoroethoxy)benzenesulfonamide
CID 120710791
4-(2,2-difluoroethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824764
3-fluoro-4-methoxy-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide
CID 129353410
4-(2,2-difluoroethoxy)benzenesulfonamide
CID 60923217
N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 120586143
4-(2,2-difluoroethoxy)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 75476941
4-(3-methylbutoxy)-N-piperidin-4-ylbenzenesulfonamide
CID 119960714
N-(2-amino-1-cyclopropylethyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 65188769
5-(but-2-ynylamino)-6,6-dimethylpiperidin-2-one
CID 130944275
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-ethoxybenzenesulfonamide
CID 43597428

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]benzenesulfonamide (CID 164631747) is 4-(2,2-difluoroethoxy)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]benzenesulfonamide is CC1(C)NC(=O)CC[C@@H]1NS(=O)(=O)c1ccc(OCC(F)F)cc1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]benzenesulfonamide?
The InChIKey is AJUQPTOPNOOFFO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20F2N2O4S/c1-15(2)12(7-8-14(20)18-15)19-24(21,22)11-5-3-10(4-6-11)23-9-13(16)17/h3-6,12-13,19H,7-9H2,1-2H3,(H,18,20)/t12-/m0/s1.
What are the key properties of 4-(2,2-difluoroethoxy)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]benzenesulfonamide?
4-(2,2-difluoroethoxy)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]benzenesulfonamide has a molecular weight of 362.40 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 164631747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).