2-chloro-N-[4-(4-chlorophenoxy)butyl]benzenesulfonamide

C16H17Cl2NO3S — CID 17475981

IUPAC2-chloro-N-[4-(4-chlorophenoxy)butyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCOc1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C16H17Cl2NO3S/c17-13-7-9-14(10-8-13)22-12-4-3-11-19-23(20,21)16-6-2-1-5-15(16)18/h1-2,5-10,19H,3-4,11-12H2
InChIKeyUKRIWTHSVJGLFL-UHFFFAOYSA-N
MW374.29 g/mol
LogP4.13
Rot. Bonds8

About 2-chloro-N-[4-(4-chlorophenoxy)butyl]benzenesulfonamide

2-chloro-N-[4-(4-chlorophenoxy)butyl]benzenesulfonamide (PubChem CID 17475981) has the molecular formula C16H17Cl2NO3S and a molecular weight of 374.29 g/mol. Its IUPAC name is 2-chloro-N-[4-(4-chlorophenoxy)butyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[4-(4-chlorophenoxy)butyl]benzenesulfonamide
PubChem CID17475981
Molecular FormulaC16H17Cl2NO3S
Molecular Weight374.29 g/mol
Exact Mass373.03
IUPAC Name2-chloro-N-[4-(4-chlorophenoxy)butyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCOc1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C16H17Cl2NO3S/c17-13-7-9-14(10-8-13)22-12-4-3-11-19-23(20,21)16-6-2-1-5-15(16)18/h1-2,5-10,19H,3-4,11-12H2
InChIKeyUKRIWTHSVJGLFL-UHFFFAOYSA-N
XLogP4.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 54.13
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

2-chloro-N-[2-(4-chlorophenoxy)ethyl]benzenesulfonamide
CID 30171874
2-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 7509950
N-(3-aminooxypropyl)-2-chlorobenzenesulfonamide
CID 39364398
2-chloro-N-[3-(3-methylphenoxy)propyl]benzenesulfonamide
CID 46644070
2-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 114008764
N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133713
2-chloro-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide
CID 86931251
2-chloro-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721154
2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide
CID 107849099
2-[2-[(2-chlorophenyl)sulfonylamino]ethoxy]propanoic acid
CID 110504575
N-[3-[4-(4-bromophenoxy)phenoxy]propyl]-4-chlorobenzenesulfonamide
CID 142055492
5-(4-chlorophenoxy)-N-methylpentan-1-amine
CID 62454431

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(4-chlorophenoxy)butyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[4-(4-chlorophenoxy)butyl]benzenesulfonamide (CID 17475981) is 2-chloro-N-[4-(4-chlorophenoxy)butyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[4-(4-chlorophenoxy)butyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[4-(4-chlorophenoxy)butyl]benzenesulfonamide is O=S(=O)(NCCCCOc1ccc(Cl)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-(4-chlorophenoxy)butyl]benzenesulfonamide?
The InChIKey is UKRIWTHSVJGLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO3S/c17-13-7-9-14(10-8-13)22-12-4-3-11-19-23(20,21)16-6-2-1-5-15(16)18/h1-2,5-10,19H,3-4,11-12H2.
What are the key properties of 2-chloro-N-[4-(4-chlorophenoxy)butyl]benzenesulfonamide?
2-chloro-N-[4-(4-chlorophenoxy)butyl]benzenesulfonamide has a molecular weight of 374.29 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(4-chlorophenoxy)butyl]benzenesulfonamide is sourced from PubChem (CID 17475981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).