5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid

C11H13Cl2NO4S — CID 62033065

IUPAC5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
SMILESO=C(O)CCCCNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2NO4S/c12-8-5-9(13)7-10(6-8)19(17,18)14-4-2-1-3-11(15)16/h5-7,14H,1-4H2,(H,15,16)
InChIKeyMZFWPRGMVCSVPS-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.53
Rot. Bonds7

About 5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid

5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid (PubChem CID 62033065) has the molecular formula C11H13Cl2NO4S and a molecular weight of 326.20 g/mol. Its IUPAC name is 5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
PubChem CID62033065
Molecular FormulaC11H13Cl2NO4S
Molecular Weight326.20 g/mol
Exact Mass324.99
IUPAC Name5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
SMILESO=C(O)CCCCNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2NO4S/c12-8-5-9(13)7-10(6-8)19(17,18)14-4-2-1-3-11(15)16/h5-7,14H,1-4H2,(H,15,16)
InChIKeyMZFWPRGMVCSVPS-UHFFFAOYSA-N
XLogP2.53
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
7-[(3,5-difluorophenyl)sulfonylamino]heptanoic acid
CID 43241563
7-[(3,5-dimethylphenyl)sulfonylamino]heptanoic acid
CID 60640044
3,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide
CID 114008802
6-[(3,4-difluorophenyl)sulfonylamino]hexanoic acid
CID 3612894
N-(3-aminopropyl)-3,5-dichlorobenzenesulfonamide;hydrochloride
CID 119961978
methyl 3-[(3,5-dichlorophenyl)sulfonylamino]propanoate
CID 3874327
3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide
CID 61287690
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid
CID 64608025
6-[(4-carbamoylphenyl)sulfonylamino]hexanoic acid
CID 43241522
6-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid
CID 43132394
N-(3-azidopropyl)-3,5-dichlorobenzenesulfonamide
CID 61343464

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid?
The IUPAC name of 5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid (CID 62033065) is 5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid?
The canonical SMILES for 5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid is O=C(O)CCCCNS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid?
The InChIKey is MZFWPRGMVCSVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4S/c12-8-5-9(13)7-10(6-8)19(17,18)14-4-2-1-3-11(15)16/h5-7,14H,1-4H2,(H,15,16).
What are the key properties of 5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid?
5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid has a molecular weight of 326.20 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 62033065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).