2-[(5-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid

C9H10ClNO6S2 — CID 60640830

IUPAC2-[(5-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid
SMILESO=C(O)CCC(NS(=O)(=O)c1ccc(Cl)s1)C(=O)O
InChIInChI=1S/C9H10ClNO6S2/c10-6-2-4-8(18-6)19(16,17)11-5(9(14)15)1-3-7(12)13/h2,4-5,11H,1,3H2,(H,12,13)(H,14,15)
InChIKeyCOOABWRXRUXINJ-UHFFFAOYSA-N
MW327.77 g/mol
LogP1.00
Rot. Bonds7

About 2-[(5-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid

2-[(5-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid (PubChem CID 60640830) has the molecular formula C9H10ClNO6S2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid
PubChem CID60640830
Molecular FormulaC9H10ClNO6S2
Molecular Weight327.77 g/mol
Exact Mass326.96
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid
SMILESO=C(O)CCC(NS(=O)(=O)c1ccc(Cl)s1)C(=O)O
InChIInChI=1S/C9H10ClNO6S2/c10-6-2-4-8(18-6)19(16,17)11-5(9(14)15)1-3-7(12)13/h2,4-5,11H,1,3H2,(H,12,13)(H,14,15)
InChIKeyCOOABWRXRUXINJ-UHFFFAOYSA-N
XLogP1.00
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751001
(2S)-2-[(5-methylthiophen-2-yl)sulfonylamino]pentanedioic acid
CID 61145094
(2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 61144815
2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pentanedioic acid
CID 103099643
(2S)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid
CID 80577574
methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate
CID 43405378
2-[(3-bromo-4-chlorophenyl)sulfonylamino]pentanedioic acid
CID 106605240
2-[(5-chlorothiophen-2-yl)sulfonylamino]oxyacetic acid
CID 60661310
(2S)-2-[(4-bromophenyl)sulfonylamino]pentanedioic acid
CID 25198912
2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 82780936
(2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid
CID 61454387
(2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 104935678

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid (CID 60640830) is 2-[(5-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid is O=C(O)CCC(NS(=O)(=O)c1ccc(Cl)s1)C(=O)O.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid?
The InChIKey is COOABWRXRUXINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO6S2/c10-6-2-4-8(18-6)19(16,17)11-5(9(14)15)1-3-7(12)13/h2,4-5,11H,1,3H2,(H,12,13)(H,14,15).
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid?
2-[(5-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid has a molecular weight of 327.77 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid is sourced from PubChem (CID 60640830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).