N-[3-(azepan-1-yl)-3-oxopropyl]benzenesulfonamide

C15H22N2O3S — CID 2977982

IUPACN-[3-(azepan-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)N1CCCCCC1
InChIInChI=1S/C15H22N2O3S/c18-15(17-12-6-1-2-7-13-17)10-11-16-21(19,20)14-8-4-3-5-9-14/h3-5,8-9,16H,1-2,6-7,10-13H2
InChIKeyMOQZRFMUVRHAOX-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.76
Rot. Bonds5

About N-[3-(azepan-1-yl)-3-oxopropyl]benzenesulfonamide

N-[3-(azepan-1-yl)-3-oxopropyl]benzenesulfonamide (PubChem CID 2977982) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)-3-oxopropyl]benzenesulfonamide
PubChem CID2977982
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[3-(azepan-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)N1CCCCCC1
InChIInChI=1S/C15H22N2O3S/c18-15(17-12-6-1-2-7-13-17)10-11-16-21(19,20)14-8-4-3-5-9-14/h3-5,8-9,16H,1-2,6-7,10-13H2
InChIKeyMOQZRFMUVRHAOX-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)-3-oxopropyl]benzenesulfonamide?
The IUPAC name of N-[3-(azepan-1-yl)-3-oxopropyl]benzenesulfonamide (CID 2977982) is N-[3-(azepan-1-yl)-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(azepan-1-yl)-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for N-[3-(azepan-1-yl)-3-oxopropyl]benzenesulfonamide is O=C(CCNS(=O)(=O)c1ccccc1)N1CCCCCC1.
What is the InChIKey of N-[3-(azepan-1-yl)-3-oxopropyl]benzenesulfonamide?
The InChIKey is MOQZRFMUVRHAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-15(17-12-6-1-2-7-13-17)10-11-16-21(19,20)14-8-4-3-5-9-14/h3-5,8-9,16H,1-2,6-7,10-13H2.
What are the key properties of N-[3-(azepan-1-yl)-3-oxopropyl]benzenesulfonamide?
N-[3-(azepan-1-yl)-3-oxopropyl]benzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 2977982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).