4-chloro-N-(7-chloro-6-oxoheptyl)benzenesulfonamide

C13H17Cl2NO3S — CID 171348226

IUPAC4-chloro-N-(7-chloro-6-oxoheptyl)benzenesulfonamide
SMILESO=C(CCl)CCCCCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17Cl2NO3S/c14-10-12(17)4-2-1-3-9-16-20(18,19)13-7-5-11(15)6-8-13/h5-8,16H,1-4,9-10H2
InChIKeyXQCZBANVZKRMBD-UHFFFAOYSA-N
MW338.26 g/mol
LogP2.99
Rot. Bonds9

About 4-chloro-N-(7-chloro-6-oxoheptyl)benzenesulfonamide

4-chloro-N-(7-chloro-6-oxoheptyl)benzenesulfonamide (PubChem CID 171348226) has the molecular formula C13H17Cl2NO3S and a molecular weight of 338.26 g/mol. Its IUPAC name is 4-chloro-N-(7-chloro-6-oxoheptyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(7-chloro-6-oxoheptyl)benzenesulfonamide
PubChem CID171348226
Molecular FormulaC13H17Cl2NO3S
Molecular Weight338.26 g/mol
Exact Mass337.03
IUPAC Name4-chloro-N-(7-chloro-6-oxoheptyl)benzenesulfonamide
SMILESO=C(CCl)CCCCCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17Cl2NO3S/c14-10-12(17)4-2-1-3-9-16-20(18,19)13-7-5-11(15)6-8-13/h5-8,16H,1-4,9-10H2
InChIKeyXQCZBANVZKRMBD-UHFFFAOYSA-N
XLogP2.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(7-chloro-6-oxoheptyl)-4-methylbenzenesulfonamide
CID 3055648
4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide
CID 70623191
6-[(4-chlorophenyl)sulfonylamino]hexanoyl azide
CID 71392994
4-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 107849052
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
2-chloro-14-[(4-chlorophenyl)sulfonylamino]tetradecanoic acid
CID 150676400
4-chloro-N-hex-5-ynylbenzenesulfonamide
CID 103756879
5-chloro-2-[5-[(4-chlorophenyl)sulfonylamino]pentanoylamino]benzoic acid
CID 25175267
6-[(3,4-difluorophenyl)sulfonylamino]hexanoic acid
CID 3612894
2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 4143935
4-chloro-N-(4-methylpentyl)benzenesulfonamide
CID 3318500
5-[(4-hydroxyphenyl)sulfonylamino]pentanamide
CID 114162417

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(7-chloro-6-oxoheptyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(7-chloro-6-oxoheptyl)benzenesulfonamide (CID 171348226) is 4-chloro-N-(7-chloro-6-oxoheptyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(7-chloro-6-oxoheptyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(7-chloro-6-oxoheptyl)benzenesulfonamide is O=C(CCl)CCCCCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(7-chloro-6-oxoheptyl)benzenesulfonamide?
The InChIKey is XQCZBANVZKRMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3S/c14-10-12(17)4-2-1-3-9-16-20(18,19)13-7-5-11(15)6-8-13/h5-8,16H,1-4,9-10H2.
What are the key properties of 4-chloro-N-(7-chloro-6-oxoheptyl)benzenesulfonamide?
4-chloro-N-(7-chloro-6-oxoheptyl)benzenesulfonamide has a molecular weight of 338.26 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(7-chloro-6-oxoheptyl)benzenesulfonamide is sourced from PubChem (CID 171348226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).