2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-(1,5-dimethylpyrazol-4-yl)acetic acid

C11H12ClN3O4S2 — CID 154741095

IUPAC2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-(1,5-dimethylpyrazol-4-yl)acetic acid
SMILESCc1c(C(NS(=O)(=O)c2ccc(Cl)s2)C(=O)O)cnn1C
InChIInChI=1S/C11H12ClN3O4S2/c1-6-7(5-13-15(6)2)10(11(16)17)14-21(18,19)9-4-3-8(12)20-9/h3-5,10,14H,1-2H3,(H,16,17)
InChIKeyWMKVNPMQPNVKBZ-UHFFFAOYSA-N
MW349.82 g/mol
LogP1.55
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-(1,5-dimethylpyrazol-4-yl)acetic acid

2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-(1,5-dimethylpyrazol-4-yl)acetic acid (PubChem CID 154741095) has the molecular formula C11H12ClN3O4S2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-(1,5-dimethylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-(1,5-dimethylpyrazol-4-yl)acetic acid
PubChem CID154741095
Molecular FormulaC11H12ClN3O4S2
Molecular Weight349.82 g/mol
Exact Mass349.00
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-(1,5-dimethylpyrazol-4-yl)acetic acid
SMILESCc1c(C(NS(=O)(=O)c2ccc(Cl)s2)C(=O)O)cnn1C
InChIInChI=1S/C11H12ClN3O4S2/c1-6-7(5-13-15(6)2)10(11(16)17)14-21(18,19)9-4-3-8(12)20-9/h3-5,10,14H,1-2H3,(H,16,17)
InChIKeyWMKVNPMQPNVKBZ-UHFFFAOYSA-N
XLogP1.55
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-(1,5-dimethylpyrazol-4-yl)acetic 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

2-(1-benzothiophen-4-ylsulfonylamino)-2-(1,5-dimethylpyrazol-4-yl)acetic acid
CID 167835948
4-[(5-chlorothiophen-2-yl)sulfonylamino]-1-methylpyrazole-5-carboxylic acid
CID 146124933
2-(1-methylpyrazol-4-yl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetic acid
CID 115288348
2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetic acid
CID 79584167
2-[(5-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid
CID 60640830
(2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751001
(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-(2-chlorophenyl)acetic acid
CID 107314957
2-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]propanoic acid
CID 54947856
(2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 61144815
1-(5-chlorothiophen-2-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 43751905
2-(5-chlorothiophen-2-yl)sulfonyl-2-(methylamino)acetic acid
CID 117037892
2-(cyclohexylamino)-2-(1,5-dimethylpyrazol-4-yl)acetic acid
CID 79584074

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-(1,5-dimethylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-(1,5-dimethylpyrazol-4-yl)acetic acid (CID 154741095) is 2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-(1,5-dimethylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-(1,5-dimethylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-(1,5-dimethylpyrazol-4-yl)acetic acid is Cc1c(C(NS(=O)(=O)c2ccc(Cl)s2)C(=O)O)cnn1C.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-(1,5-dimethylpyrazol-4-yl)acetic acid?
The InChIKey is WMKVNPMQPNVKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O4S2/c1-6-7(5-13-15(6)2)10(11(16)17)14-21(18,19)9-4-3-8(12)20-9/h3-5,10,14H,1-2H3,(H,16,17).
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-(1,5-dimethylpyrazol-4-yl)acetic acid?
2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-(1,5-dimethylpyrazol-4-yl)acetic acid has a molecular weight of 349.82 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-(1,5-dimethylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 154741095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).