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

C9H11Cl2NO4S2 — CID 64701142

IUPAC3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H11Cl2NO4S2/c1-9(2,4-7(13)14)12-18(15,16)5-3-6(10)17-8(5)11/h3,12H,4H2,1-2H3,(H,13,14)
InChIKeyZUIRMDPRSYOULF-UHFFFAOYSA-N
MW332.23 g/mol
LogP2.59
Rot. Bonds5

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

3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylbutanoic acid (PubChem CID 64701142) has the molecular formula C9H11Cl2NO4S2 and a molecular weight of 332.23 g/mol. Its IUPAC name is 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylbutanoic acid
PubChem CID64701142
Molecular FormulaC9H11Cl2NO4S2
Molecular Weight332.23 g/mol
Exact Mass330.95
IUPAC Name3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H11Cl2NO4S2/c1-9(2,4-7(13)14)12-18(15,16)5-3-6(10)17-8(5)11/h3,12H,4H2,1-2H3,(H,13,14)
InChIKeyZUIRMDPRSYOULF-UHFFFAOYSA-N
XLogP2.59
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3,5-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 64699972
3-[(5-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 64700558
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid
CID 114285508
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
2-[[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]acetyl]amino]acetic acid
CID 43386864
N-[3-(bromomethyl)pentan-3-yl]-2,5-dichlorothiophene-3-sulfonamide
CID 113271110
3-[(2-chloro-5-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid
CID 138044228
(2R)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751470
2,5-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-3-sulfonamide
CID 113318751
2-[tert-butyl-(2,5-dichlorothiophen-3-yl)sulfonylamino]acetic acid
CID 79269352
2-[1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64671577
2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide
CID 65036898

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylbutanoic acid?
The IUPAC name of 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylbutanoic acid (CID 64701142) is 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylbutanoic acid?
The canonical SMILES for 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylbutanoic acid is CC(C)(CC(=O)O)NS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylbutanoic acid?
The InChIKey is ZUIRMDPRSYOULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO4S2/c1-9(2,4-7(13)14)12-18(15,16)5-3-6(10)17-8(5)11/h3,12H,4H2,1-2H3,(H,13,14).
What are the key properties of 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylbutanoic acid?
3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylbutanoic acid has a molecular weight of 332.23 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylbutanoic acid is sourced from PubChem (CID 64701142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).