3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]hexanoic acid

C11H16ClNO4S2 — CID 103099825

IUPAC3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]hexanoic acid
SMILESCCCC(CC(=O)O)NS(=O)(=O)c1cc(C)c(Cl)s1
InChIInChI=1S/C11H16ClNO4S2/c1-3-4-8(6-9(14)15)13-19(16,17)10-5-7(2)11(12)18-10/h5,8,13H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyQHTDTZZTLLVGSF-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.63
Rot. Bonds7

About 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]hexanoic acid

3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]hexanoic acid (PubChem CID 103099825) has the molecular formula C11H16ClNO4S2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]hexanoic acid
PubChem CID103099825
Molecular FormulaC11H16ClNO4S2
Molecular Weight325.84 g/mol
Exact Mass325.02
IUPAC Name3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]hexanoic acid
SMILESCCCC(CC(=O)O)NS(=O)(=O)c1cc(C)c(Cl)s1
InChIInChI=1S/C11H16ClNO4S2/c1-3-4-8(6-9(14)15)13-19(16,17)10-5-7(2)11(12)18-10/h5,8,13H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyQHTDTZZTLLVGSF-UHFFFAOYSA-N
XLogP2.63
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(5-Chlorothiophen-2-yl)sulfonylamino]hexanoic acid
CID 8097186
N-[(5-Chloro-2-thienyl)sulfonyl]-3-ethyl-L-norvaline
CID 10215181
2-[(5-Chlorothiophen-2-yl)sulfonylamino]-3-ethylpentanoic acid
CID 11359297
2-[(2,5-Dichlorothiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 18679332
2-[(5-Chlorothiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 18679338
(2S,3S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanoic acid
CID 61137092
(2S)-6-amino-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoic acid
CID 69109344
6-Amino-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoic acid
CID 69109352
2-[(5-Chlorothiophen-2-yl)sulfonylamino]-3-methylpentanoic acid
CID 43090804
7-[(5-Chlorothiophen-2-yl)sulfonylamino]heptanoic acid
CID 43235827
2-[(2,5-Dichlorothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid
CID 43235962
6-[(2,5-Dichlorothiophen-3-yl)sulfonylamino]hexanoic acid
CID 43235971

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]hexanoic acid?
The IUPAC name of 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]hexanoic acid (CID 103099825) is 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]hexanoic acid?
The canonical SMILES for 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]hexanoic acid is CCCC(CC(=O)O)NS(=O)(=O)c1cc(C)c(Cl)s1.
What is the InChIKey of 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]hexanoic acid?
The InChIKey is QHTDTZZTLLVGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO4S2/c1-3-4-8(6-9(14)15)13-19(16,17)10-5-7(2)11(12)18-10/h5,8,13H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]hexanoic acid?
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]hexanoic acid has a molecular weight of 325.84 g/mol, XLogP of 2.63, 7 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]hexanoic acid is sourced from PubChem (CID 103099825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).