2-(5-chlorothiophen-2-yl)sulfonyl-2-(methylamino)acetic acid

C7H8ClNO4S2 — CID 117037892

IUPAC2-(5-chlorothiophen-2-yl)sulfonyl-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C7H8ClNO4S2/c1-9-6(7(10)11)15(12,13)5-3-2-4(8)14-5/h2-3,6,9H,1H3,(H,10,11)
InChIKeyCOCUWDXHQRSOSI-UHFFFAOYSA-N
MW269.73 g/mol
LogP0.81
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)sulfonyl-2-(methylamino)acetic acid

2-(5-chlorothiophen-2-yl)sulfonyl-2-(methylamino)acetic acid (PubChem CID 117037892) has the molecular formula C7H8ClNO4S2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)sulfonyl-2-(methylamino)acetic acid.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)sulfonyl-2-(methylamino)acetic acid
PubChem CID117037892
Molecular FormulaC7H8ClNO4S2
Molecular Weight269.73 g/mol
Exact Mass268.96
IUPAC Name2-(5-chlorothiophen-2-yl)sulfonyl-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C7H8ClNO4S2/c1-9-6(7(10)11)15(12,13)5-3-2-4(8)14-5/h2-3,6,9H,1H3,(H,10,11)
InChIKeyCOCUWDXHQRSOSI-UHFFFAOYSA-N
XLogP0.81
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide
CID 47108883
(2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751001
2-(benzenesulfonyl)-2-(methylamino)acetic acid
CID 117037879
(2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 61144815
N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide
CID 8500723
2-[(5-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid
CID 60640830
(2S)-2-[[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]amino]-3-methylbutanoic acid
CID 119359903
2-[(5-chlorothiophen-2-yl)sulfonylamino]oxyacetic acid
CID 60661310
2-(5-chlorothiophen-2-yl)sulfonylbutan-1-ol
CID 117037675
methyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate
CID 8501031
methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate
CID 43405378
3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxypropanamide
CID 107258327

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)sulfonyl-2-(methylamino)acetic acid?
The IUPAC name of 2-(5-chlorothiophen-2-yl)sulfonyl-2-(methylamino)acetic acid (CID 117037892) is 2-(5-chlorothiophen-2-yl)sulfonyl-2-(methylamino)acetic acid.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)sulfonyl-2-(methylamino)acetic acid?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)sulfonyl-2-(methylamino)acetic acid is CNC(C(=O)O)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)sulfonyl-2-(methylamino)acetic acid?
The InChIKey is COCUWDXHQRSOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO4S2/c1-9-6(7(10)11)15(12,13)5-3-2-4(8)14-5/h2-3,6,9H,1H3,(H,10,11).
What are the key properties of 2-(5-chlorothiophen-2-yl)sulfonyl-2-(methylamino)acetic acid?
2-(5-chlorothiophen-2-yl)sulfonyl-2-(methylamino)acetic acid has a molecular weight of 269.73 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)sulfonyl-2-(methylamino)acetic acid is sourced from PubChem (CID 117037892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).