N-[2-(azepan-1-ylsulfonyl)ethyl]benzamide

C15H22N2O3S — CID 7423206

IUPACN-[2-(azepan-1-ylsulfonyl)ethyl]benzamide
SMILESO=C(NCCS(=O)(=O)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C15H22N2O3S/c18-15(14-8-4-3-5-9-14)16-10-13-21(19,20)17-11-6-1-2-7-12-17/h3-5,8-9H,1-2,6-7,10-13H2,(H,16,18)
InChIKeyWJDMREYHCALAFU-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.62
Rot. Bonds5

About N-[2-(azepan-1-ylsulfonyl)ethyl]benzamide

N-[2-(azepan-1-ylsulfonyl)ethyl]benzamide (PubChem CID 7423206) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[2-(azepan-1-ylsulfonyl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(azepan-1-ylsulfonyl)ethyl]benzamide
PubChem CID7423206
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[2-(azepan-1-ylsulfonyl)ethyl]benzamide
SMILESO=C(NCCS(=O)(=O)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C15H22N2O3S/c18-15(14-8-4-3-5-9-14)16-10-13-21(19,20)17-11-6-1-2-7-12-17/h3-5,8-9H,1-2,6-7,10-13H2,(H,16,18)
InChIKeyWJDMREYHCALAFU-UHFFFAOYSA-N
XLogP1.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-sulfamoylbenzamide
CID 4347
N,N'-bis(2-mercaptoethyl)isophthalamide
CID 21133161
N-methyl-4-sulfamoylbenzamide
CID 4093508
N-prop-2-ynyl-4-sulfamoyl-benzamide
CID 11851424
n-Propyl-4-sulfamoylbenzamide
CID 226552
N-(2,2,3,3,3-Pentafluoropropyl)-4-Sulfamoylbenzamide
CID 10019627
N-Ethyl 4-sulfamylbenzamide
CID 10242881
N-(6-Mercapto-hexyl)-benzamide
CID 11447748
4-Sulfamylbenzamide,N-hexyl
CID 11778627
N-(2-oxoazepan-3-yl)benzamide
CID 2813197
N-(2,2,3,3,4,4,4-Heptafluorobutyl)-4-Sulfamoylbenzamide
CID 10091273
N-Butyl 4-sulfamylbenzamide
CID 10355056

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-ylsulfonyl)ethyl]benzamide?
The IUPAC name of N-[2-(azepan-1-ylsulfonyl)ethyl]benzamide (CID 7423206) is N-[2-(azepan-1-ylsulfonyl)ethyl]benzamide.
What is the SMILES notation for N-[2-(azepan-1-ylsulfonyl)ethyl]benzamide?
The canonical SMILES for N-[2-(azepan-1-ylsulfonyl)ethyl]benzamide is O=C(NCCS(=O)(=O)N1CCCCCC1)c1ccccc1.
What is the InChIKey of N-[2-(azepan-1-ylsulfonyl)ethyl]benzamide?
The InChIKey is WJDMREYHCALAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-15(14-8-4-3-5-9-14)16-10-13-21(19,20)17-11-6-1-2-7-12-17/h3-5,8-9H,1-2,6-7,10-13H2,(H,16,18).
What are the key properties of N-[2-(azepan-1-ylsulfonyl)ethyl]benzamide?
N-[2-(azepan-1-ylsulfonyl)ethyl]benzamide has a molecular weight of 310.42 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-ylsulfonyl)ethyl]benzamide is sourced from PubChem (CID 7423206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).