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

C10H12ClNO6S2 — CID 103099643

IUPAC2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pentanedioic acid
SMILESCc1cc(S(=O)(=O)NC(CCC(=O)O)C(=O)O)sc1Cl
InChIInChI=1S/C10H12ClNO6S2/c1-5-4-8(19-9(5)11)20(17,18)12-6(10(15)16)2-3-7(13)14/h4,6,12H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyAZNKKVAJKWYFNJ-UHFFFAOYSA-N
MW341.79 g/mol
LogP1.31
Rot. Bonds7

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

2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pentanedioic acid (PubChem CID 103099643) has the molecular formula C10H12ClNO6S2 and a molecular weight of 341.79 g/mol. Its IUPAC name is 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pentanedioic acid.

Molecular Properties

Compound Name2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pentanedioic acid
PubChem CID103099643
Molecular FormulaC10H12ClNO6S2
Molecular Weight341.79 g/mol
Exact Mass340.98
IUPAC Name2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pentanedioic acid
SMILESCc1cc(S(=O)(=O)NC(CCC(=O)O)C(=O)O)sc1Cl
InChIInChI=1S/C10H12ClNO6S2/c1-5-4-8(19-9(5)11)20(17,18)12-6(10(15)16)2-3-7(13)14/h4,6,12H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyAZNKKVAJKWYFNJ-UHFFFAOYSA-N
XLogP1.31
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]hexanedioic acid
CID 107266601
5-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 103099828
(2S)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid
CID 80577574
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid
CID 103099583
(2R)-2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]hexanedioic acid
CID 107266594
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]hexanoic acid
CID 103099825
(2S)-2-[(5-methylthiophen-2-yl)sulfonylamino]pentanedioic acid
CID 61145094
2-[(5-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid
CID 60640830
methyl 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-methylpentanoate
CID 103100554
(2S)-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 103215118
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]pentanoic acid
CID 79989177
(2S)-2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 79987764

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pentanedioic acid?
The IUPAC name of 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pentanedioic acid (CID 103099643) is 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pentanedioic acid.
What is the SMILES notation for 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pentanedioic acid?
The canonical SMILES for 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pentanedioic acid is Cc1cc(S(=O)(=O)NC(CCC(=O)O)C(=O)O)sc1Cl.
What is the InChIKey of 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pentanedioic acid?
The InChIKey is AZNKKVAJKWYFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO6S2/c1-5-4-8(19-9(5)11)20(17,18)12-6(10(15)16)2-3-7(13)14/h4,6,12H,2-3H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pentanedioic acid?
2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pentanedioic acid has a molecular weight of 341.79 g/mol, XLogP of 1.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pentanedioic acid is sourced from PubChem (CID 103099643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).