N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-(methylsulfamoyl)benzamide

C15H21F2N3O3S — CID 49074013

IUPACN-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NC2CCN(CC(F)F)CC2)cc1
InChIInChI=1S/C15H21F2N3O3S/c1-18-24(22,23)13-4-2-11(3-5-13)15(21)19-12-6-8-20(9-7-12)10-14(16)17/h2-5,12,14,18H,6-10H2,1H3,(H,19,21)
InChIKeyRHJXMKZABLAFDY-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.05
Rot. Bonds6

About N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-(methylsulfamoyl)benzamide

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-(methylsulfamoyl)benzamide (PubChem CID 49074013) has the molecular formula C15H21F2N3O3S and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-(methylsulfamoyl)benzamide
PubChem CID49074013
Molecular FormulaC15H21F2N3O3S
Molecular Weight361.41 g/mol
Exact Mass361.13
IUPAC NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NC2CCN(CC(F)F)CC2)cc1
InChIInChI=1S/C15H21F2N3O3S/c1-18-24(22,23)13-4-2-11(3-5-13)15(21)19-12-6-8-20(9-7-12)10-14(16)17/h2-5,12,14,18H,6-10H2,1H3,(H,19,21)
InChIKeyRHJXMKZABLAFDY-UHFFFAOYSA-N
XLogP1.05
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide
CID 49073210
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide
CID 49073422
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(cyclopropylsulfamoyl)benzamide
CID 18278929
4-(ethylsulfamoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 24543001
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-(cyclopropylsulfamoyl)benzamide
CID 46540127
6-bromo-N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridazine-3-carboxamide;ethane
CID 144895125
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(1-propylpiperidin-4-yl)benzamide
CID 55407115
4-[(4-fluorobenzoyl)amino]-N-methylpiperidine-1-carboxamide
CID 47162435
4-[[(2R)-butan-2-yl]sulfamoyl]-N-cyclopentylbenzamide
CID 9214369
N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9091107
4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide
CID 46592883
N-(2-methylpiperidin-4-yl)-4-(methylsulfamoyl)benzamide
CID 120599207

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-(methylsulfamoyl)benzamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-(methylsulfamoyl)benzamide (CID 49074013) is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(C(=O)NC2CCN(CC(F)F)CC2)cc1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-(methylsulfamoyl)benzamide?
The InChIKey is RHJXMKZABLAFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O3S/c1-18-24(22,23)13-4-2-11(3-5-13)15(21)19-12-6-8-20(9-7-12)10-14(16)17/h2-5,12,14,18H,6-10H2,1H3,(H,19,21).
What are the key properties of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-(methylsulfamoyl)benzamide?
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-(methylsulfamoyl)benzamide has a molecular weight of 361.41 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-(methylsulfamoyl)benzamide is sourced from PubChem (CID 49074013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).