4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid

C10H13Cl2NO4S2 — CID 114285508

IUPAC4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid
SMILESCC(C)(CCNS(=O)(=O)c1cc(Cl)sc1Cl)C(=O)O
InChIInChI=1S/C10H13Cl2NO4S2/c1-10(2,9(14)15)3-4-13-19(16,17)6-5-7(11)18-8(6)12/h5,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyBGPXNYPIVFBVHM-UHFFFAOYSA-N
MW346.26 g/mol
LogP2.83
Rot. Bonds6

About 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid

4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid (PubChem CID 114285508) has the molecular formula C10H13Cl2NO4S2 and a molecular weight of 346.26 g/mol. Its IUPAC name is 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid
PubChem CID114285508
Molecular FormulaC10H13Cl2NO4S2
Molecular Weight346.26 g/mol
Exact Mass344.97
IUPAC Name4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid
SMILESCC(C)(CCNS(=O)(=O)c1cc(Cl)sc1Cl)C(=O)O
InChIInChI=1S/C10H13Cl2NO4S2/c1-10(2,9(14)15)3-4-13-19(16,17)6-5-7(11)18-8(6)12/h5,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyBGPXNYPIVFBVHM-UHFFFAOYSA-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

2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide
CID 107319312
2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide
CID 114504676
N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167116
methyl 6-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoate
CID 43405598
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
2,5-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-3-sulfonamide
CID 113318751
3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylbutanoic acid
CID 64701142
2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide
CID 61132382
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)thiophene-3-sulfonamide
CID 114149844
N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide
CID 114297747
2-[[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]acetyl]amino]acetic acid
CID 43386864
2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)thiophene-3-sulfonamide
CID 113343427

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid?
The IUPAC name of 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid (CID 114285508) is 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid is CC(C)(CCNS(=O)(=O)c1cc(Cl)sc1Cl)C(=O)O.
What is the InChIKey of 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid?
The InChIKey is BGPXNYPIVFBVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO4S2/c1-10(2,9(14)15)3-4-13-19(16,17)6-5-7(11)18-8(6)12/h5,13H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid?
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic 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 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid is sourced from PubChem (CID 114285508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).