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

C11H13Cl2NO4S2 — CID 2121600

IUPAC(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
SMILESCSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)O
InChIInChI=1S/C11H13Cl2NO4S2/c1-19-5-4-9(11(15)16)14-20(17,18)10-6-7(12)2-3-8(10)13/h2-3,6,9,14H,4-5H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyVKWGFUJHFMMSHD-VIFPVBQESA-N
MW358.27 g/mol
LogP2.48
Rot. Bonds7

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

(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid (PubChem CID 2121600) has the molecular formula C11H13Cl2NO4S2 and a molecular weight of 358.27 g/mol. Its IUPAC name is (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
PubChem CID2121600
Molecular FormulaC11H13Cl2NO4S2
Molecular Weight358.27 g/mol
Exact Mass356.97
IUPAC Name(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
SMILESCSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)O
InChIInChI=1S/C11H13Cl2NO4S2/c1-19-5-4-9(11(15)16)14-20(17,18)10-6-7(12)2-3-8(10)13/h2-3,6,9,14H,4-5H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyVKWGFUJHFMMSHD-VIFPVBQESA-N
XLogP2.48
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chloro-2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43091490
(2R)-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 104906639
2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244796
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-4-methylsulfanylbutanoic acid
CID 3856640
2-[(2,5-dichlorophenyl)sulfonylamino]-N-heptan-2-yl-4-methylsulfanylbutanamide
CID 43019434
N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonylamino]-N-methyl-4-methylsulfanylbutanamide
CID 112803692
(2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 104906681
4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]-N-methylbenzamide
CID 24647982
2-[(2,5-dichlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]-4-methylsulfanylbutanamide
CID 43017438
2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 55866835
2,5-dichloro-N-[1-(4-cyclopentylpiperazin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzenesulfonamide
CID 55585011
2-[(4-bromo-2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 116527289

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid?
The IUPAC name of (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid (CID 2121600) is (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid.
What is the SMILES notation for (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid?
The canonical SMILES for (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid is CSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)O.
What is the InChIKey of (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid?
The InChIKey is VKWGFUJHFMMSHD-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13Cl2NO4S2/c1-19-5-4-9(11(15)16)14-20(17,18)10-6-7(12)2-3-8(10)13/h2-3,6,9,14H,4-5H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid?
(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid has a molecular weight of 358.27 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 2121600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).