4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide

C30H30Cl2N2O6S2 — CID 3543296

IUPAC4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)c1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C30H30Cl2N2O6S2/c31-27-9-3-5-11-29(27)39-23-13-17-25(18-14-23)41(35,36)33-21-7-1-2-8-22-34-42(37,38)26-19-15-24(16-20-26)40-30-12-6-4-10-28(30)32/h3-6,9-20,33-34H,1-2,7-8,21-22H2
InChIKeyJVZWIASVQWHAKS-UHFFFAOYSA-N
MW649.62 g/mol
LogP7.40
Rot. Bonds15

About 4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide

4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide (PubChem CID 3543296) has the molecular formula C30H30Cl2N2O6S2 and a molecular weight of 649.62 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide
PubChem CID3543296
Molecular FormulaC30H30Cl2N2O6S2
Molecular Weight649.62 g/mol
Exact Mass648.09
IUPAC Name4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)c1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C30H30Cl2N2O6S2/c31-27-9-3-5-11-29(27)39-23-13-17-25(18-14-23)41(35,36)33-21-7-1-2-8-22-34-42(37,38)26-19-15-24(16-20-26)40-30-12-6-4-10-28(30)32/h3-6,9-20,33-34H,1-2,7-8,21-22H2
InChIKeyJVZWIASVQWHAKS-UHFFFAOYSA-N
XLogP7.40
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.62
LogP ≤ 57.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminobutyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride
CID 119972685
N-(5-aminopentyl)-4-phenoxybenzenesulfonamide
CID 58080264
N-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide
CID 3539405
4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974420
4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide
CID 3535745
4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]benzenesulfonamide
CID 59710547
4-(2-chlorophenoxy)-N-(2-methylphenyl)benzenesulfonamide
CID 3530960
4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-3-ium-4-yl]methyl]benzenesulfonamide
CID 142170734
4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide
CID 1281323
4-(2-aminophenoxy)-N-propylbenzenesulfonamide
CID 61026793
4-(2-chlorophenoxy)-N-(4-nitrophenyl)benzenesulfonamide
CID 3535744
N-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide
CID 28567796

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide (CID 3543296) is 4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide is O=S(=O)(NCCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)c1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide?
The InChIKey is JVZWIASVQWHAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30Cl2N2O6S2/c31-27-9-3-5-11-29(27)39-23-13-17-25(18-14-23)41(35,36)33-21-7-1-2-8-22-34-42(37,38)26-19-15-24(16-20-26)40-30-12-6-4-10-28(30)32/h3-6,9-20,33-34H,1-2,7-8,21-22H2.
What are the key properties of 4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide?
4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide has a molecular weight of 649.62 g/mol, XLogP of 7.40, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide is sourced from PubChem (CID 3543296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).