5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide

C16H23ClN2O4S — CID 46387480

IUPAC5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl
InChIInChI=1S/C16H23ClN2O4S/c1-23-11-8-18-16(20)14-12-13(6-7-15(14)17)24(21,22)19-9-4-2-3-5-10-19/h6-7,12H,2-5,8-11H2,1H3,(H,18,20)
InChIKeyCNDFQPTVRONGSF-UHFFFAOYSA-N
MW374.89 g/mol
LogP2.28
Rot. Bonds6

About 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide

5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide (PubChem CID 46387480) has the molecular formula C16H23ClN2O4S and a molecular weight of 374.89 g/mol. Its IUPAC name is 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide
PubChem CID46387480
Molecular FormulaC16H23ClN2O4S
Molecular Weight374.89 g/mol
Exact Mass374.11
IUPAC Name5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl
InChIInChI=1S/C16H23ClN2O4S/c1-23-11-8-18-16(20)14-12-13(6-7-15(14)17)24(21,22)19-9-4-2-3-5-10-19/h6-7,12H,2-5,8-11H2,1H3,(H,18,20)
InChIKeyCNDFQPTVRONGSF-UHFFFAOYSA-N
XLogP2.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-chloro-N-propylbenzamide
CID 28590823
5-(azepan-1-ylsulfonyl)-N-butyl-2-chlorobenzamide
CID 28590824
2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 30502848
2-chloro-N-(3-hydroxypropyl)-5-piperidin-1-ylsulfonylbenzamide
CID 78795839
5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 46387509
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 16533443
2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26534993
N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
CID 24660007
2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 18127231
6-(azepan-1-ylsulfonyl)-N-(2-methoxyethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 15996678
2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 47101010
2-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26374148

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide (CID 46387480) is 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide?
The InChIKey is CNDFQPTVRONGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4S/c1-23-11-8-18-16(20)14-12-13(6-7-15(14)17)24(21,22)19-9-4-2-3-5-10-19/h6-7,12H,2-5,8-11H2,1H3,(H,18,20).
What are the key properties of 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide?
5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide has a molecular weight of 374.89 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 46387480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).