4-chloro-N-(3-imidazol-1-ylpropyl)-3-piperidin-1-ylsulfonylbenzamide

C18H23ClN4O3S — CID 30944265

IUPAC4-chloro-N-(3-imidazol-1-ylpropyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCCn1ccnc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H23ClN4O3S/c19-16-6-5-15(18(24)21-7-4-9-22-12-8-20-14-22)13-17(16)27(25,26)23-10-2-1-3-11-23/h5-6,8,12-14H,1-4,7,9-11H2,(H,21,24)
InChIKeyXKJYXTFJCGLVGK-UHFFFAOYSA-N
MW410.93 g/mol
LogP2.53
Rot. Bonds7

About 4-chloro-N-(3-imidazol-1-ylpropyl)-3-piperidin-1-ylsulfonylbenzamide

4-chloro-N-(3-imidazol-1-ylpropyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 30944265) has the molecular formula C18H23ClN4O3S and a molecular weight of 410.93 g/mol. Its IUPAC name is 4-chloro-N-(3-imidazol-1-ylpropyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(3-imidazol-1-ylpropyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID30944265
Molecular FormulaC18H23ClN4O3S
Molecular Weight410.93 g/mol
Exact Mass410.12
IUPAC Name4-chloro-N-(3-imidazol-1-ylpropyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCCn1ccnc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H23ClN4O3S/c19-16-6-5-15(18(24)21-7-4-9-22-12-8-20-14-22)13-17(16)27(25,26)23-10-2-1-3-11-23/h5-6,8,12-14H,1-4,7,9-11H2,(H,21,24)
InChIKeyXKJYXTFJCGLVGK-UHFFFAOYSA-N
XLogP2.53
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.93
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(3-imidazol-1-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 78858270
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892264
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide
CID 55341749
4-chloro-N-(2-piperidin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 55723998
4-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55660146
4-chloro-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55861983
4-chloro-3-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)benzamide
CID 2524943
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17395173
4-chloro-N-[2-(4-chlorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92532196
2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866
4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-pentylbenzamide
CID 99969242
3-[(2-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513235

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-imidazol-1-ylpropyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(3-imidazol-1-ylpropyl)-3-piperidin-1-ylsulfonylbenzamide (CID 30944265) is 4-chloro-N-(3-imidazol-1-ylpropyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(3-imidazol-1-ylpropyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(3-imidazol-1-ylpropyl)-3-piperidin-1-ylsulfonylbenzamide is O=C(NCCCn1ccnc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-chloro-N-(3-imidazol-1-ylpropyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is XKJYXTFJCGLVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3S/c19-16-6-5-15(18(24)21-7-4-9-22-12-8-20-14-22)13-17(16)27(25,26)23-10-2-1-3-11-23/h5-6,8,12-14H,1-4,7,9-11H2,(H,21,24).
What are the key properties of 4-chloro-N-(3-imidazol-1-ylpropyl)-3-piperidin-1-ylsulfonylbenzamide?
4-chloro-N-(3-imidazol-1-ylpropyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 410.93 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-imidazol-1-ylpropyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 30944265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).