N-[5-(azepan-1-yl)pentyl]benzenesulfonamide

C17H28N2O2S — CID 110444590

IUPACN-[5-(azepan-1-yl)pentyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCCN1CCCCCC1)c1ccccc1
InChIInChI=1S/C17H28N2O2S/c20-22(21,17-11-5-3-6-12-17)18-13-7-4-10-16-19-14-8-1-2-9-15-19/h3,5-6,11-12,18H,1-2,4,7-10,13-16H2
InChIKeyGVFHIBBJYUTLDW-UHFFFAOYSA-N
MW324.49 g/mol
LogP3.01
Rot. Bonds8

About N-[5-(azepan-1-yl)pentyl]benzenesulfonamide

N-[5-(azepan-1-yl)pentyl]benzenesulfonamide (PubChem CID 110444590) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is N-[5-(azepan-1-yl)pentyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(azepan-1-yl)pentyl]benzenesulfonamide
PubChem CID110444590
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC NameN-[5-(azepan-1-yl)pentyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCCN1CCCCCC1)c1ccccc1
InChIInChI=1S/C17H28N2O2S/c20-22(21,17-11-5-3-6-12-17)18-13-7-4-10-16-19-14-8-1-2-9-15-19/h3,5-6,11-12,18H,1-2,4,7-10,13-16H2
InChIKeyGVFHIBBJYUTLDW-UHFFFAOYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 4988896
4-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 62989950
4-(bromomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 65480605
2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 78843443
N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8824051
4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 134007687
N-[2-(benzenesulfonamido)ethyl]-2-pyrrolidin-1-ylacetamide
CID 2190794
N-[3-(azepan-1-yl)propyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50839253
N-(6-piperidin-1-ylhexyl)aniline
CID 70509590
5-chloro-N-(6-pyrrolidin-1-ylhexyl)naphthalene-1-sulfonamide
CID 56955991
N-tridecylbenzenesulfonamide
CID 3514704
4-(3-pyrrolidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 43362200

Frequently Asked Questions

What is the IUPAC name of N-[5-(azepan-1-yl)pentyl]benzenesulfonamide?
The IUPAC name of N-[5-(azepan-1-yl)pentyl]benzenesulfonamide (CID 110444590) is N-[5-(azepan-1-yl)pentyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(azepan-1-yl)pentyl]benzenesulfonamide?
The canonical SMILES for N-[5-(azepan-1-yl)pentyl]benzenesulfonamide is O=S(=O)(NCCCCCN1CCCCCC1)c1ccccc1.
What is the InChIKey of N-[5-(azepan-1-yl)pentyl]benzenesulfonamide?
The InChIKey is GVFHIBBJYUTLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c20-22(21,17-11-5-3-6-12-17)18-13-7-4-10-16-19-14-8-1-2-9-15-19/h3,5-6,11-12,18H,1-2,4,7-10,13-16H2.
What are the key properties of N-[5-(azepan-1-yl)pentyl]benzenesulfonamide?
N-[5-(azepan-1-yl)pentyl]benzenesulfonamide has a molecular weight of 324.49 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azepan-1-yl)pentyl]benzenesulfonamide is sourced from PubChem (CID 110444590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).