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

C11H16ClNO4S2 — CID 103099828

IUPAC5-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
SMILESCc1cc(S(=O)(=O)NCC(C)CCC(=O)O)sc1Cl
InChIInChI=1S/C11H16ClNO4S2/c1-7(3-4-9(14)15)6-13-19(16,17)10-5-8(2)11(12)18-10/h5,7,13H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyAVZOKQWRNXPMHF-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.49
Rot. Bonds7

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

5-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid (PubChem CID 103099828) has the molecular formula C11H16ClNO4S2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 5-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
PubChem CID103099828
Molecular FormulaC11H16ClNO4S2
Molecular Weight325.84 g/mol
Exact Mass325.02
IUPAC Name5-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
SMILESCc1cc(S(=O)(=O)NCC(C)CCC(=O)O)sc1Cl
InChIInChI=1S/C11H16ClNO4S2/c1-7(3-4-9(14)15)6-13-19(16,17)10-5-8(2)11(12)18-10/h5,7,13H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyAVZOKQWRNXPMHF-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid
CID 103099583
2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pentanedioic acid
CID 103099643
(2R)-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]hexanedioic acid
CID 107266601
5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide
CID 103100218
(2S)-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 103215118
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 82017296
5-chloro-N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 120714003
5-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 82683810
5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide
CID 103270087
5-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 82683979
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]hexanoic acid
CID 103099825
5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide
CID 114295146

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid?
The IUPAC name of 5-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid (CID 103099828) is 5-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid is Cc1cc(S(=O)(=O)NCC(C)CCC(=O)O)sc1Cl.
What is the InChIKey of 5-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid?
The InChIKey is AVZOKQWRNXPMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO4S2/c1-7(3-4-9(14)15)6-13-19(16,17)10-5-8(2)11(12)18-10/h5,7,13H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 5-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid?
5-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid has a molecular weight of 325.84 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid is sourced from PubChem (CID 103099828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).