3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid

C10H12ClNO4S2 — CID 138032308

IUPAC3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid
SMILESCc1cc(S(=O)(=O)NC2CC(C(=O)O)C2)sc1Cl
InChIInChI=1S/C10H12ClNO4S2/c1-5-2-8(17-9(5)11)18(15,16)12-7-3-6(4-7)10(13)14/h2,6-7,12H,3-4H2,1H3,(H,13,14)
InChIKeyRBIQUUKCWGEKAL-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.85
Rot. Bonds4

About 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid

3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid (PubChem CID 138032308) has the molecular formula C10H12ClNO4S2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid
PubChem CID138032308
Molecular FormulaC10H12ClNO4S2
Molecular Weight309.80 g/mol
Exact Mass308.99
IUPAC Name3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid
SMILESCc1cc(S(=O)(=O)NC2CC(C(=O)O)C2)sc1Cl
InChIInChI=1S/C10H12ClNO4S2/c1-5-2-8(17-9(5)11)18(15,16)12-7-3-6(4-7)10(13)14/h2,6-7,12H,3-4H2,1H3,(H,13,14)
InChIKeyRBIQUUKCWGEKAL-UHFFFAOYSA-N
XLogP1.85
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic 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

5-chloro-N-cyclohexyl-4-methylthiophene-2-sulfonamide
CID 103099871
N-tert-butyl-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]piperidine-1-carboxamide
CID 119046095
ethyl (3S)-3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pyrrolidine-1-carboxylate
CID 124853545
ethyl (3R)-3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pyrrolidine-1-carboxylate
CID 124853544
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122106054
5-chloro-N-[2-(chloromethyl)cyclohexyl]-4-methylthiophene-2-sulfonamide
CID 106367818
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid
CID 103099583
5-chloro-4-methylthiophene-2-sulfonic acid
CID 89170993
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]hexanoic acid
CID 103099825
3-methyl-5-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43609986
2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pentanedioic acid
CID 103099643
(2S)-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 103215118

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid (CID 138032308) is 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid is Cc1cc(S(=O)(=O)NC2CC(C(=O)O)C2)sc1Cl.
What is the InChIKey of 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid?
The InChIKey is RBIQUUKCWGEKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S2/c1-5-2-8(17-9(5)11)18(15,16)12-7-3-6(4-7)10(13)14/h2,6-7,12H,3-4H2,1H3,(H,13,14).
What are the key properties of 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid?
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid has a molecular weight of 309.80 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 138032308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).