(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid

C12H15Cl2NO4S — CID 28828970

IUPAC(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)O
InChIInChI=1S/C12H15Cl2NO4S/c1-7(2)3-11(12(16)17)15-20(18,19)10-5-8(13)4-9(14)6-10/h4-7,11,15H,3H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyRGIPFILQEBATTR-NSHDSACASA-N
MW340.23 g/mol
LogP2.77
Rot. Bonds6

About (2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid

(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid (PubChem CID 28828970) has the molecular formula C12H15Cl2NO4S and a molecular weight of 340.23 g/mol. Its IUPAC name is (2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid
PubChem CID28828970
Molecular FormulaC12H15Cl2NO4S
Molecular Weight340.23 g/mol
Exact Mass339.01
IUPAC Name(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)O
InChIInChI=1S/C12H15Cl2NO4S/c1-7(2)3-11(12(16)17)15-20(18,19)10-5-8(13)4-9(14)6-10/h4-7,11,15H,3H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyRGIPFILQEBATTR-NSHDSACASA-N
XLogP2.77
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 7061989
(2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 93252465
(2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid
CID 61155878
2-[(3-chloro-5-fluorophenyl)sulfonylamino]-4,4-difluorobutanoic acid
CID 154742191
(2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 42256056
(2R)-2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 122069288
(2S)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 61154149
(2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828960
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 3464013
(2S)-2-[(3-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 30049594
(2R)-2-[(3-bromo-5-carbamoylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 122069307
(2R)-2-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 122069284

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid (CID 28828970) is (2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid is CC(C)C[C@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)O.
What is the InChIKey of (2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid?
The InChIKey is RGIPFILQEBATTR-NSHDSACASA-N. The full InChI is InChI=1S/C12H15Cl2NO4S/c1-7(2)3-11(12(16)17)15-20(18,19)10-5-8(13)4-9(14)6-10/h4-7,11,15H,3H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid?
(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid has a molecular weight of 340.23 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid is sourced from PubChem (CID 28828970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).