N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide

C17H25ClN3O4S+ — CID 8903916

IUPACN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide
SMILESO=C(C[NH+]1CCOCC1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C17H24ClN3O4S/c18-15-5-4-14(26(23,24)21-6-2-1-3-7-21)12-16(15)19-17(22)13-20-8-10-25-11-9-20/h4-5,12H,1-3,6-11,13H2,(H,19,22)/p+1
InChIKeyYGDKMGUAYDJKCL-UHFFFAOYSA-O
MW402.92 g/mol
LogP0.37
Rot. Bonds5

About N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide

N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide (PubChem CID 8903916) has the molecular formula C17H25ClN3O4S+ and a molecular weight of 402.92 g/mol. Its IUPAC name is N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide
PubChem CID8903916
Molecular FormulaC17H25ClN3O4S+
Molecular Weight402.92 g/mol
Exact Mass402.12
IUPAC NameN-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide
SMILESO=C(C[NH+]1CCOCC1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C17H24ClN3O4S/c18-15-5-4-14(26(23,24)21-6-2-1-3-7-21)12-16(15)19-17(22)13-20-8-10-25-11-9-20/h4-5,12H,1-3,6-11,13H2,(H,19,22)/p+1
InChIKeyYGDKMGUAYDJKCL-UHFFFAOYSA-O
XLogP0.37
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 8903917
2-(azepan-1-yl)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4818242
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 8894842
[2-[5-(azepan-1-ylsulfonyl)-2-chloroanilino]-2-oxoethyl] oxane-4-carboxylate
CID 55374926
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902014
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(tert-butylamino)acetamide
CID 17409340
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 3471694
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-phenylsulfanylacetamide
CID 3984580
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide
CID 17475932
[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 6027216
N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide
CID 2082920
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-cyclopentylsulfanylacetamide
CID 7395638

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide (CID 8903916) is N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide is O=C(C[NH+]1CCOCC1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is YGDKMGUAYDJKCL-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H24ClN3O4S/c18-15-5-4-14(26(23,24)21-6-2-1-3-7-21)12-16(15)19-17(22)13-20-8-10-25-11-9-20/h4-5,12H,1-3,6-11,13H2,(H,19,22)/p+1.
What are the key properties of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide?
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 402.92 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 8903916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).