(2S,3S)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid

C10H13Cl2NO4S2 — CID 61137324

IUPAC(2S,3S)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1cc(Cl)sc1Cl)C(=O)O
InChIInChI=1S/C10H13Cl2NO4S2/c1-3-5(2)8(10(14)15)13-19(16,17)6-4-7(11)18-9(6)12/h4-5,8,13H,3H2,1-2H3,(H,14,15)/t5-,8-/m0/s1
InChIKeyMETGEPMKIRIDQA-XNCJUZBTSA-N
MW346.26 g/mol
LogP2.83
Rot. Bonds6

About (2S,3S)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid

(2S,3S)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid (PubChem CID 61137324) has the molecular formula C10H13Cl2NO4S2 and a molecular weight of 346.26 g/mol. Its IUPAC name is (2S,3S)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid
PubChem CID61137324
Molecular FormulaC10H13Cl2NO4S2
Molecular Weight346.26 g/mol
Exact Mass344.97
IUPAC Name(2S,3S)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1cc(Cl)sc1Cl)C(=O)O
InChIInChI=1S/C10H13Cl2NO4S2/c1-3-5(2)8(10(14)15)13-19(16,17)6-4-7(11)18-9(6)12/h4-5,8,13H,3H2,1-2H3,(H,14,15)/t5-,8-/m0/s1
InChIKeyMETGEPMKIRIDQA-XNCJUZBTSA-N
XLogP2.83
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751470
2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid
CID 43238236
2,5-dichloro-N-(3-oxopentan-2-yl)thiophene-3-sulfonamide
CID 64993790
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 105399638
(2S,3S)-2-[(2-bromo-5-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 120666169
(2S,3S)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 103862725
(2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6541721
2-[(2-chloro-5-methoxyphenyl)sulfonylamino]-3-methylpentanoic acid
CID 139021759
2-[(3,5-dimethylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 60641481
2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43084241
2-[(5-chloro-2-cyanophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43245317
(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173816

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid (CID 61137324) is (2S,3S)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid is CC[C@H](C)[C@H](NS(=O)(=O)c1cc(Cl)sc1Cl)C(=O)O.
What is the InChIKey of (2S,3S)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid?
The InChIKey is METGEPMKIRIDQA-XNCJUZBTSA-N. The full InChI is InChI=1S/C10H13Cl2NO4S2/c1-3-5(2)8(10(14)15)13-19(16,17)6-4-7(11)18-9(6)12/h4-5,8,13H,3H2,1-2H3,(H,14,15)/t5-,8-/m0/s1.
What are the key properties of (2S,3S)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid?
(2S,3S)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid has a molecular weight of 346.26 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid is sourced from PubChem (CID 61137324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).