1-[1-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetyl]azetidin-3-yl]piperidine-4-carboxamide

C17H22ClFN4O4S — CID 121153899

IUPAC1-[1-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetyl]azetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(C(=O)CNS(=O)(=O)c3ccc(F)c(Cl)c3)C2)CC1
InChIInChI=1S/C17H22ClFN4O4S/c18-14-7-13(1-2-15(14)19)28(26,27)21-8-16(24)23-9-12(10-23)22-5-3-11(4-6-22)17(20)25/h1-2,7,11-12,21H,3-6,8-10H2,(H2,20,25)
InChIKeyYNSIBQMAOAOQAK-UHFFFAOYSA-N
MW432.91 g/mol
LogP0.17
Rot. Bonds6

About 1-[1-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetyl]azetidin-3-yl]piperidine-4-carboxamide

1-[1-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetyl]azetidin-3-yl]piperidine-4-carboxamide (PubChem CID 121153899) has the molecular formula C17H22ClFN4O4S and a molecular weight of 432.91 g/mol. Its IUPAC name is 1-[1-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetyl]azetidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetyl]azetidin-3-yl]piperidine-4-carboxamide
PubChem CID121153899
Molecular FormulaC17H22ClFN4O4S
Molecular Weight432.91 g/mol
Exact Mass432.10
IUPAC Name1-[1-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetyl]azetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(C(=O)CNS(=O)(=O)c3ccc(F)c(Cl)c3)C2)CC1
InChIInChI=1S/C17H22ClFN4O4S/c18-14-7-13(1-2-15(14)19)28(26,27)21-8-16(24)23-9-12(10-23)22-5-3-11(4-6-22)17(20)25/h1-2,7,11-12,21H,3-6,8-10H2,(H2,20,25)
InChIKeyYNSIBQMAOAOQAK-UHFFFAOYSA-N
XLogP0.17
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[3-[(3-chlorophenyl)sulfonylamino]propanoyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153894
3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 90593801
3-chloro-N-[2-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)azetidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 121155106
3-chloro-4-fluoro-N-[2-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 90590085
3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 121160283
2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid
CID 697755
3-chloro-4-fluoro-N-[2-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 90629021
1-[1-[2-[(3,4-dichlorobenzoyl)amino]acetyl]pyrrolidin-3-yl]piperidine-4-carboxamide
CID 59764780
1-[1-[3-(2,6-dichlorophenyl)propanoyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153914
N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 112995974
4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995681
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide
CID 112991971

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetyl]azetidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetyl]azetidin-3-yl]piperidine-4-carboxamide (CID 121153899) is 1-[1-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetyl]azetidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetyl]azetidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetyl]azetidin-3-yl]piperidine-4-carboxamide is NC(=O)C1CCN(C2CN(C(=O)CNS(=O)(=O)c3ccc(F)c(Cl)c3)C2)CC1.
What is the InChIKey of 1-[1-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetyl]azetidin-3-yl]piperidine-4-carboxamide?
The InChIKey is YNSIBQMAOAOQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN4O4S/c18-14-7-13(1-2-15(14)19)28(26,27)21-8-16(24)23-9-12(10-23)22-5-3-11(4-6-22)17(20)25/h1-2,7,11-12,21H,3-6,8-10H2,(H2,20,25).
What are the key properties of 1-[1-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetyl]azetidin-3-yl]piperidine-4-carboxamide?
1-[1-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetyl]azetidin-3-yl]piperidine-4-carboxamide has a molecular weight of 432.91 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetyl]azetidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121153899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).