2-[(3-chlorophenyl)sulfonylamino]pentanoic acid

C11H14ClNO4S — CID 43631155

IUPAC2-[(3-chlorophenyl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C11H14ClNO4S/c1-2-4-10(11(14)15)13-18(16,17)9-6-3-5-8(12)7-9/h3,5-7,10,13H,2,4H2,1H3,(H,14,15)
InChIKeyZKRFTADQXVTHDW-UHFFFAOYSA-N
MW291.76 g/mol
LogP1.87
Rot. Bonds6

About 2-[(3-chlorophenyl)sulfonylamino]pentanoic acid

2-[(3-chlorophenyl)sulfonylamino]pentanoic acid (PubChem CID 43631155) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(3-chlorophenyl)sulfonylamino]pentanoic acid
PubChem CID43631155
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Name2-[(3-chlorophenyl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C11H14ClNO4S/c1-2-4-10(11(14)15)13-18(16,17)9-6-3-5-8(12)7-9/h3,5-7,10,13H,2,4H2,1H3,(H,14,15)
InChIKeyZKRFTADQXVTHDW-UHFFFAOYSA-N
XLogP1.87
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 43386716
(2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 93252465
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid
CID 81076518
4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084159
(2R)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid
CID 104935432
2-[(3-methoxycarbonylphenyl)sulfonylamino]pentanoic acid
CID 43631243
(2R)-2-[(3-chlorophenyl)sulfonylamino]-N-hydroxyhexanamide
CID 131856473
2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43084241
2-[2-(3-chlorophenyl)ethylsulfonylamino]pentanoic acid
CID 120968688
(2S)-2-[(3-methylphenyl)sulfonylamino]pentanedioic acid
CID 2422440
(2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid
CID 104935414

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)sulfonylamino]pentanoic acid?
The IUPAC name of 2-[(3-chlorophenyl)sulfonylamino]pentanoic acid (CID 43631155) is 2-[(3-chlorophenyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 2-[(3-chlorophenyl)sulfonylamino]pentanoic acid?
The canonical SMILES for 2-[(3-chlorophenyl)sulfonylamino]pentanoic acid is CCCC(NS(=O)(=O)c1cccc(Cl)c1)C(=O)O.
What is the InChIKey of 2-[(3-chlorophenyl)sulfonylamino]pentanoic acid?
The InChIKey is ZKRFTADQXVTHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-2-4-10(11(14)15)13-18(16,17)9-6-3-5-8(12)7-9/h3,5-7,10,13H,2,4H2,1H3,(H,14,15).
What are the key properties of 2-[(3-chlorophenyl)sulfonylamino]pentanoic acid?
2-[(3-chlorophenyl)sulfonylamino]pentanoic acid has a molecular weight of 291.76 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 43631155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).