6-[[2-(4-chlorobenzoyl)phenyl]sulfonylamino]hexanoic acid

C19H20ClNO5S — CID 22152207

IUPAC6-[[2-(4-chlorobenzoyl)phenyl]sulfonylamino]hexanoic acid
SMILESO=C(O)CCCCCNS(=O)(=O)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO5S/c20-15-11-9-14(10-12-15)19(24)16-6-3-4-7-17(16)27(25,26)21-13-5-1-2-8-18(22)23/h3-4,6-7,9-12,21H,1-2,5,8,13H2,(H,22,23)
InChIKeyUREATBTVKFYDDI-UHFFFAOYSA-N
MW409.89 g/mol
LogP3.49
Rot. Bonds10

About 6-[[2-(4-chlorobenzoyl)phenyl]sulfonylamino]hexanoic acid

6-[[2-(4-chlorobenzoyl)phenyl]sulfonylamino]hexanoic acid (PubChem CID 22152207) has the molecular formula C19H20ClNO5S and a molecular weight of 409.89 g/mol. Its IUPAC name is 6-[[2-(4-chlorobenzoyl)phenyl]sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-(4-chlorobenzoyl)phenyl]sulfonylamino]hexanoic acid
PubChem CID22152207
Molecular FormulaC19H20ClNO5S
Molecular Weight409.89 g/mol
Exact Mass409.08
IUPAC Name6-[[2-(4-chlorobenzoyl)phenyl]sulfonylamino]hexanoic acid
SMILESO=C(O)CCCCCNS(=O)(=O)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO5S/c20-15-11-9-14(10-12-15)19(24)16-6-3-4-7-17(16)27(25,26)21-13-5-1-2-8-18(22)23/h3-4,6-7,9-12,21H,1-2,5,8,13H2,(H,22,23)
InChIKeyUREATBTVKFYDDI-UHFFFAOYSA-N
XLogP3.49
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.89
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

12-[[4-chloro-2-(2,4-dichlorobenzoyl)phenyl]sulfonylamino]dodecanoic acid
CID 22152243
6-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid
CID 43132394
4-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid
CID 43361160
4-[4-(4-chlorobenzoyl)anilino]butanoic acid
CID 14072049
5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 62033065
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
6-[(4-carbamoylphenyl)sulfonylamino]hexanoic acid
CID 43241522
6-[(3,4-difluorophenyl)sulfonylamino]hexanoic acid
CID 3612894
4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid
CID 43242362
4-chloro-N-(7-chloro-6-oxoheptyl)benzenesulfonamide
CID 171348226
methyl 2-(5-methoxypentylsulfamoyl)benzoate
CID 103833559
4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide
CID 70623191

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-chlorobenzoyl)phenyl]sulfonylamino]hexanoic acid?
The IUPAC name of 6-[[2-(4-chlorobenzoyl)phenyl]sulfonylamino]hexanoic acid (CID 22152207) is 6-[[2-(4-chlorobenzoyl)phenyl]sulfonylamino]hexanoic acid.
What is the SMILES notation for 6-[[2-(4-chlorobenzoyl)phenyl]sulfonylamino]hexanoic acid?
The canonical SMILES for 6-[[2-(4-chlorobenzoyl)phenyl]sulfonylamino]hexanoic acid is O=C(O)CCCCCNS(=O)(=O)c1ccccc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 6-[[2-(4-chlorobenzoyl)phenyl]sulfonylamino]hexanoic acid?
The InChIKey is UREATBTVKFYDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO5S/c20-15-11-9-14(10-12-15)19(24)16-6-3-4-7-17(16)27(25,26)21-13-5-1-2-8-18(22)23/h3-4,6-7,9-12,21H,1-2,5,8,13H2,(H,22,23).
What are the key properties of 6-[[2-(4-chlorobenzoyl)phenyl]sulfonylamino]hexanoic acid?
6-[[2-(4-chlorobenzoyl)phenyl]sulfonylamino]hexanoic acid has a molecular weight of 409.89 g/mol, XLogP of 3.49, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-chlorobenzoyl)phenyl]sulfonylamino]hexanoic acid is sourced from PubChem (CID 22152207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).