[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-(furan-2-ylmethyl)azanium

C18H23ClN3O4S+ — CID 7434647

IUPAC[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-(furan-2-ylmethyl)azanium
SMILESO=C(C[NH2+]Cc1ccco1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C18H22ClN3O4S/c19-16-7-6-15(27(24,25)22-8-2-1-3-9-22)11-17(16)21-18(23)13-20-12-14-5-4-10-26-14/h4-7,10-11,20H,1-3,8-9,12-13H2,(H,21,23)/p+1
InChIKeyRBTQKXHXVKAHGT-UHFFFAOYSA-O
MW412.92 g/mol
LogP1.81
Rot. Bonds7

About [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-(furan-2-ylmethyl)azanium

[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-(furan-2-ylmethyl)azanium (PubChem CID 7434647) has the molecular formula C18H23ClN3O4S+ and a molecular weight of 412.92 g/mol. Its IUPAC name is [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-(furan-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-(furan-2-ylmethyl)azanium
PubChem CID7434647
Molecular FormulaC18H23ClN3O4S+
Molecular Weight412.92 g/mol
Exact Mass412.11
IUPAC Name[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-(furan-2-ylmethyl)azanium
SMILESO=C(C[NH2+]Cc1ccco1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C18H22ClN3O4S/c19-16-7-6-15(27(24,25)22-8-2-1-3-9-22)11-17(16)21-18(23)13-20-12-14-5-4-10-26-14/h4-7,10-11,20H,1-3,8-9,12-13H2,(H,21,23)/p+1
InChIKeyRBTQKXHXVKAHGT-UHFFFAOYSA-O
XLogP1.81
TPSA96.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide
CID 30620235
2-(azepan-1-yl)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4818242
3-(furan-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 26524387
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-phenylsulfanylacetamide
CID 3984580
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 8903917
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 3471694
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 8903916
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(furan-2-yl)propanamide
CID 33297922
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(tert-butylamino)acetamide
CID 17409340
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 3312619
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 16543235
2-[bis(2-methoxyethyl)amino]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 43031214

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-(furan-2-ylmethyl)azanium?
The IUPAC name of [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-(furan-2-ylmethyl)azanium (CID 7434647) is [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-(furan-2-ylmethyl)azanium.
What is the SMILES notation for [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-(furan-2-ylmethyl)azanium?
The canonical SMILES for [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-(furan-2-ylmethyl)azanium is O=C(C[NH2+]Cc1ccco1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-(furan-2-ylmethyl)azanium?
The InChIKey is RBTQKXHXVKAHGT-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22ClN3O4S/c19-16-7-6-15(27(24,25)22-8-2-1-3-9-22)11-17(16)21-18(23)13-20-12-14-5-4-10-26-14/h4-7,10-11,20H,1-3,8-9,12-13H2,(H,21,23)/p+1.
What are the key properties of [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-(furan-2-ylmethyl)azanium?
[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-(furan-2-ylmethyl)azanium has a molecular weight of 412.92 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-(furan-2-ylmethyl)azanium is sourced from PubChem (CID 7434647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).