2-chloro-N-(3-ethoxypropyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide

C17H26ClN3O4S — CID 99969395

IUPAC2-chloro-N-(3-ethoxypropyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCCOCCCNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl
InChIInChI=1S/C17H26ClN3O4S/c1-3-25-12-4-7-19-17(22)15-13-14(5-6-16(15)18)26(23,24)21-10-8-20(2)9-11-21/h5-6,13H,3-4,7-12H2,1-2H3,(H,19,22)
InChIKeyMWMSRYLNFXJYGP-UHFFFAOYSA-N
MW403.93 g/mol
LogP1.43
Rot. Bonds8

About 2-chloro-N-(3-ethoxypropyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide

2-chloro-N-(3-ethoxypropyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 99969395) has the molecular formula C17H26ClN3O4S and a molecular weight of 403.93 g/mol. Its IUPAC name is 2-chloro-N-(3-ethoxypropyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-ethoxypropyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
PubChem CID99969395
Molecular FormulaC17H26ClN3O4S
Molecular Weight403.93 g/mol
Exact Mass403.13
IUPAC Name2-chloro-N-(3-ethoxypropyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCCOCCCNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl
InChIInChI=1S/C17H26ClN3O4S/c1-3-25-12-4-7-19-17(22)15-13-14(5-6-16(15)18)26(23,24)21-10-8-20(2)9-11-21/h5-6,13H,3-4,7-12H2,1-2H3,(H,19,22)
InChIKeyMWMSRYLNFXJYGP-UHFFFAOYSA-N
XLogP1.43
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.93
LogP ≤ 51.43
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

5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methylbenzamide
CID 28590378
2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide
CID 51165018
5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methoxybenzamide
CID 18108936
2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 18127231
5-(azepan-1-ylsulfonyl)-N-butyl-2-chlorobenzamide
CID 28590824
5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 46387509
2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide
CID 56699203
5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide
CID 46387480
5-(azepan-1-ylsulfonyl)-2-chloro-N-propylbenzamide
CID 28590823
4-chloro-3-(2-ethoxyethylcarbamoyl)benzenesulfonyl chloride
CID 65371525
2-chloro-N-(3-hydroxypropyl)-5-piperidin-1-ylsulfonylbenzamide
CID 78795839
2-methyl-N-[2-(4-methylphenoxy)ethyl]-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 50875446

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethoxypropyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of 2-chloro-N-(3-ethoxypropyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide (CID 99969395) is 2-chloro-N-(3-ethoxypropyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(3-ethoxypropyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(3-ethoxypropyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide is CCOCCCNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(3-ethoxypropyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is MWMSRYLNFXJYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O4S/c1-3-25-12-4-7-19-17(22)15-13-14(5-6-16(15)18)26(23,24)21-10-8-20(2)9-11-21/h5-6,13H,3-4,7-12H2,1-2H3,(H,19,22).
What are the key properties of 2-chloro-N-(3-ethoxypropyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide?
2-chloro-N-(3-ethoxypropyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 403.93 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethoxypropyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 99969395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).