(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid

C11H14ClNO4S — CID 788533

IUPAC(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
SMILESCCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C11H14ClNO4S/c1-2-3-10(11(14)15)13-18(16,17)9-6-4-8(12)5-7-9/h4-7,10,13H,2-3H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyITOUTPBZECRSID-JTQLQIEISA-N
MW291.76 g/mol
LogP1.87
Rot. Bonds6

About (2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid

(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid (PubChem CID 788533) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
PubChem CID788533
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Name(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
SMILESCCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C11H14ClNO4S/c1-2-3-10(11(14)15)13-18(16,17)9-6-4-8(12)5-7-9/h4-7,10,13H,2-3H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyITOUTPBZECRSID-JTQLQIEISA-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

(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-fluorobutanoic acid
CID 59001025
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
(2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 93252465
(2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid
CID 93252469
2-[(3-chlorophenyl)sulfonylamino]pentanoic acid
CID 43631155
3-chloro-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 21236350
(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 7061989
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylsulfanylpropanoic acid
CID 7319023
3-amino-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 18328781
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid
CID 93252502
(2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 1112091
(2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]pentanoic acid
CID 107564868

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid?
The IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid (CID 788533) is (2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid is CCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid?
The InChIKey is ITOUTPBZECRSID-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-2-3-10(11(14)15)13-18(16,17)9-6-4-8(12)5-7-9/h4-7,10,13H,2-3H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid?
(2S)-2-[(4-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 (2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 788533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).