N-(2,2-difluoroethyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide

C14H18F2N2O4S — CID 97139801

IUPACN-(2,2-difluoroethyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide
SMILESO=C(NCC(F)F)c1ccc(S(=O)(=O)N2CCC[C@H](O)C2)cc1
InChIInChI=1S/C14H18F2N2O4S/c15-13(16)8-17-14(20)10-3-5-12(6-4-10)23(21,22)18-7-1-2-11(19)9-18/h3-6,11,13,19H,1-2,7-9H2,(H,17,20)/t11-/m0/s1
InChIKeyPNXWTEJGPQFIRS-NSHDSACASA-N
MW348.37 g/mol
LogP0.83
Rot. Bonds5

About N-(2,2-difluoroethyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide

N-(2,2-difluoroethyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide (PubChem CID 97139801) has the molecular formula C14H18F2N2O4S and a molecular weight of 348.37 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide
PubChem CID97139801
Molecular FormulaC14H18F2N2O4S
Molecular Weight348.37 g/mol
Exact Mass348.10
IUPAC NameN-(2,2-difluoroethyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide
SMILESO=C(NCC(F)F)c1ccc(S(=O)(=O)N2CCC[C@H](O)C2)cc1
InChIInChI=1S/C14H18F2N2O4S/c15-13(16)8-17-14(20)10-3-5-12(6-4-10)23(21,22)18-7-1-2-11(19)9-18/h3-6,11,13,19H,1-2,7-9H2,(H,17,20)/t11-/m0/s1
InChIKeyPNXWTEJGPQFIRS-NSHDSACASA-N
XLogP0.83
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109058847
N-(1-carbamoylcyclopentyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide
CID 97133790
(3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol
CID 71654100
4-[3-(azepan-1-yl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 86900559
4-(3-hydroxypiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 122152547
1-[4-[(cyclopropylamino)methyl]phenyl]sulfonylpiperidin-3-ol
CID 61435583
1-[4-(ethylaminomethyl)phenyl]sulfonylpiperidin-3-ol
CID 61435532
4-(3-hydroxypiperidin-1-yl)sulfonylbenzaldehyde
CID 146636211
4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzaldehyde
CID 155923738
4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119984592
2-[4-(3-hydroxypiperidin-1-yl)sulfonylphenoxy]acetic acid
CID 43503048
methyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 41210171

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-(2,2-difluoroethyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide (CID 97139801) is N-(2,2-difluoroethyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-(2,2-difluoroethyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide is O=C(NCC(F)F)c1ccc(S(=O)(=O)N2CCC[C@H](O)C2)cc1.
What is the InChIKey of N-(2,2-difluoroethyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide?
The InChIKey is PNXWTEJGPQFIRS-NSHDSACASA-N. The full InChI is InChI=1S/C14H18F2N2O4S/c15-13(16)8-17-14(20)10-3-5-12(6-4-10)23(21,22)18-7-1-2-11(19)9-18/h3-6,11,13,19H,1-2,7-9H2,(H,17,20)/t11-/m0/s1.
What are the key properties of N-(2,2-difluoroethyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide?
N-(2,2-difluoroethyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide has a molecular weight of 348.37 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 97139801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).