N-cyclopentyl-1-[4-(difluoromethyl)benzoyl]azetidine-3-sulfonamide

C16H20F2N2O3S — CID 136522204

IUPACN-cyclopentyl-1-[4-(difluoromethyl)benzoyl]azetidine-3-sulfonamide
SMILESO=C(c1ccc(C(F)F)cc1)N1CC(S(=O)(=O)NC2CCCC2)C1
InChIInChI=1S/C16H20F2N2O3S/c17-15(18)11-5-7-12(8-6-11)16(21)20-9-14(10-20)24(22,23)19-13-3-1-2-4-13/h5-8,13-15,19H,1-4,9-10H2
InChIKeyCDEMROLLBBWZDJ-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.31
Rot. Bonds5

About N-cyclopentyl-1-[4-(difluoromethyl)benzoyl]azetidine-3-sulfonamide

N-cyclopentyl-1-[4-(difluoromethyl)benzoyl]azetidine-3-sulfonamide (PubChem CID 136522204) has the molecular formula C16H20F2N2O3S and a molecular weight of 358.41 g/mol. Its IUPAC name is N-cyclopentyl-1-[4-(difluoromethyl)benzoyl]azetidine-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[4-(difluoromethyl)benzoyl]azetidine-3-sulfonamide
PubChem CID136522204
Molecular FormulaC16H20F2N2O3S
Molecular Weight358.41 g/mol
Exact Mass358.12
IUPAC NameN-cyclopentyl-1-[4-(difluoromethyl)benzoyl]azetidine-3-sulfonamide
SMILESO=C(c1ccc(C(F)F)cc1)N1CC(S(=O)(=O)NC2CCCC2)C1
InChIInChI=1S/C16H20F2N2O3S/c17-15(18)11-5-7-12(8-6-11)16(21)20-9-14(10-20)24(22,23)19-13-3-1-2-4-13/h5-8,13-15,19H,1-4,9-10H2
InChIKeyCDEMROLLBBWZDJ-UHFFFAOYSA-N
XLogP2.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-cyclopentyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-sulfonamide
CID 97348547
1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide
CID 75476198
N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]azetidine-3-sulfonamide
CID 75476262
N-cyclopentyl-1-(2-pyrimidin-5-ylbenzoyl)azetidine-3-sulfonamide
CID 75476264
3-(cyclopentylsulfamoyl)-N-(2,6-difluorophenyl)piperidine-1-carboxamide
CID 75476010
1-[4-(difluoromethyl)benzoyl]piperidine-3,4-dicarboxylic acid
CID 167916924
(3S)-N-cyclopentyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 97348588
3-(cyclopentylsulfamoyl)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
CID 75476054
(3R)-1-[3-(cyanomethyl)benzoyl]-N-cyclopentylpiperidine-3-sulfonamide
CID 97348457
(3S)-1-[3-(cyanomethyl)benzoyl]-N-cyclopentylpiperidine-3-sulfonamide
CID 97348456
(3-fluoroazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864386
(3S)-N-cyclopentyl-1-(2-methylpropanoyl)piperidine-3-sulfonamide
CID 97348594

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[4-(difluoromethyl)benzoyl]azetidine-3-sulfonamide?
The IUPAC name of N-cyclopentyl-1-[4-(difluoromethyl)benzoyl]azetidine-3-sulfonamide (CID 136522204) is N-cyclopentyl-1-[4-(difluoromethyl)benzoyl]azetidine-3-sulfonamide.
What is the SMILES notation for N-cyclopentyl-1-[4-(difluoromethyl)benzoyl]azetidine-3-sulfonamide?
The canonical SMILES for N-cyclopentyl-1-[4-(difluoromethyl)benzoyl]azetidine-3-sulfonamide is O=C(c1ccc(C(F)F)cc1)N1CC(S(=O)(=O)NC2CCCC2)C1.
What is the InChIKey of N-cyclopentyl-1-[4-(difluoromethyl)benzoyl]azetidine-3-sulfonamide?
The InChIKey is CDEMROLLBBWZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O3S/c17-15(18)11-5-7-12(8-6-11)16(21)20-9-14(10-20)24(22,23)19-13-3-1-2-4-13/h5-8,13-15,19H,1-4,9-10H2.
What are the key properties of N-cyclopentyl-1-[4-(difluoromethyl)benzoyl]azetidine-3-sulfonamide?
N-cyclopentyl-1-[4-(difluoromethyl)benzoyl]azetidine-3-sulfonamide has a molecular weight of 358.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[4-(difluoromethyl)benzoyl]azetidine-3-sulfonamide is sourced from PubChem (CID 136522204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).