1-[1-[3-[(3-chlorophenyl)sulfonylamino]propanoyl]azetidin-3-yl]piperidine-4-carboxamide

C18H25ClN4O4S — CID 121153894

IUPAC1-[1-[3-[(3-chlorophenyl)sulfonylamino]propanoyl]azetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)C2)CC1
InChIInChI=1S/C18H25ClN4O4S/c19-14-2-1-3-16(10-14)28(26,27)21-7-4-17(24)23-11-15(12-23)22-8-5-13(6-9-22)18(20)25/h1-3,10,13,15,21H,4-9,11-12H2,(H2,20,25)
InChIKeyGSHLQJLCYQGPPN-UHFFFAOYSA-N
MW428.94 g/mol
LogP0.42
Rot. Bonds7

About 1-[1-[3-[(3-chlorophenyl)sulfonylamino]propanoyl]azetidin-3-yl]piperidine-4-carboxamide

1-[1-[3-[(3-chlorophenyl)sulfonylamino]propanoyl]azetidin-3-yl]piperidine-4-carboxamide (PubChem CID 121153894) has the molecular formula C18H25ClN4O4S and a molecular weight of 428.94 g/mol. Its IUPAC name is 1-[1-[3-[(3-chlorophenyl)sulfonylamino]propanoyl]azetidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[3-[(3-chlorophenyl)sulfonylamino]propanoyl]azetidin-3-yl]piperidine-4-carboxamide
PubChem CID121153894
Molecular FormulaC18H25ClN4O4S
Molecular Weight428.94 g/mol
Exact Mass428.13
IUPAC Name1-[1-[3-[(3-chlorophenyl)sulfonylamino]propanoyl]azetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)C2)CC1
InChIInChI=1S/C18H25ClN4O4S/c19-14-2-1-3-16(10-14)28(26,27)21-7-4-17(24)23-11-15(12-23)22-8-5-13(6-9-22)18(20)25/h1-3,10,13,15,21H,4-9,11-12H2,(H2,20,25)
InChIKeyGSHLQJLCYQGPPN-UHFFFAOYSA-N
XLogP0.42
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153899
1-[1-[3-(2,6-dichlorophenyl)propanoyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153914
3-chloro-N-[3-oxo-3-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]propyl]benzenesulfonamide
CID 90617703
methyl 1-[2-[3-[(3-chlorophenyl)sulfonylamino]propanoyloxy]acetyl]piperidine-4-carboxylate
CID 42982150
3-chloro-N-[3-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 121140727
3,4-difluoro-N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide
CID 56551060
3-chloro-N-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 55462431
3-chloro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide
CID 33233825
N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
CID 56550806
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
ethyl 1-[3-[(3-bromophenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate
CID 55347050
3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 71809313

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[(3-chlorophenyl)sulfonylamino]propanoyl]azetidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[3-[(3-chlorophenyl)sulfonylamino]propanoyl]azetidin-3-yl]piperidine-4-carboxamide (CID 121153894) is 1-[1-[3-[(3-chlorophenyl)sulfonylamino]propanoyl]azetidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[3-[(3-chlorophenyl)sulfonylamino]propanoyl]azetidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[3-[(3-chlorophenyl)sulfonylamino]propanoyl]azetidin-3-yl]piperidine-4-carboxamide is NC(=O)C1CCN(C2CN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)C2)CC1.
What is the InChIKey of 1-[1-[3-[(3-chlorophenyl)sulfonylamino]propanoyl]azetidin-3-yl]piperidine-4-carboxamide?
The InChIKey is GSHLQJLCYQGPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O4S/c19-14-2-1-3-16(10-14)28(26,27)21-7-4-17(24)23-11-15(12-23)22-8-5-13(6-9-22)18(20)25/h1-3,10,13,15,21H,4-9,11-12H2,(H2,20,25).
What are the key properties of 1-[1-[3-[(3-chlorophenyl)sulfonylamino]propanoyl]azetidin-3-yl]piperidine-4-carboxamide?
1-[1-[3-[(3-chlorophenyl)sulfonylamino]propanoyl]azetidin-3-yl]piperidine-4-carboxamide has a molecular weight of 428.94 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[(3-chlorophenyl)sulfonylamino]propanoyl]azetidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121153894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).