2-chloro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide

C21H33ClN2O3S — CID 25023562

IUPAC2-chloro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide
SMILESO=C1CCCCCCCCCCC(NS(=O)(=O)c2ccccc2Cl)CCCN1
InChIInChI=1S/C21H33ClN2O3S/c22-19-14-9-10-15-20(19)28(26,27)24-18-12-7-5-3-1-2-4-6-8-16-21(25)23-17-11-13-18/h9-10,14-15,18,24H,1-8,11-13,16-17H2,(H,23,25)
InChIKeyRZSNMTPMUXURQK-UHFFFAOYSA-N
MW429.03 g/mol
LogP4.80
Rot. Bonds3

About 2-chloro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide

2-chloro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide (PubChem CID 25023562) has the molecular formula C21H33ClN2O3S and a molecular weight of 429.03 g/mol. Its IUPAC name is 2-chloro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide
PubChem CID25023562
Molecular FormulaC21H33ClN2O3S
Molecular Weight429.03 g/mol
Exact Mass428.19
IUPAC Name2-chloro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide
SMILESO=C1CCCCCCCCCCC(NS(=O)(=O)c2ccccc2Cl)CCCN1
InChIInChI=1S/C21H33ClN2O3S/c22-19-14-9-10-15-20(19)28(26,27)24-18-12-7-5-3-1-2-4-6-8-16-21(25)23-17-11-13-18/h9-10,14-15,18,24H,1-8,11-13,16-17H2,(H,23,25)
InChIKeyRZSNMTPMUXURQK-UHFFFAOYSA-N
XLogP4.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.03
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide (CID 25023562) is 2-chloro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide is O=C1CCCCCCCCCCC(NS(=O)(=O)c2ccccc2Cl)CCCN1.
What is the InChIKey of 2-chloro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide?
The InChIKey is RZSNMTPMUXURQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33ClN2O3S/c22-19-14-9-10-15-20(19)28(26,27)24-18-12-7-5-3-1-2-4-6-8-16-21(25)23-17-11-13-18/h9-10,14-15,18,24H,1-8,11-13,16-17H2,(H,23,25).
What are the key properties of 2-chloro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide?
2-chloro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide has a molecular weight of 429.03 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide is sourced from PubChem (CID 25023562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).