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

C8H10ClNO4S2 — CID 103099583

IUPAC3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid
SMILESCc1cc(S(=O)(=O)NCCC(=O)O)sc1Cl
InChIInChI=1S/C8H10ClNO4S2/c1-5-4-7(15-8(5)9)16(13,14)10-3-2-6(11)12/h4,10H,2-3H2,1H3,(H,11,12)
InChIKeySXUMTBGTSRKOLY-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.46
Rot. Bonds5

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

3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid (PubChem CID 103099583) has the molecular formula C8H10ClNO4S2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid
PubChem CID103099583
Molecular FormulaC8H10ClNO4S2
Molecular Weight283.76 g/mol
Exact Mass282.97
IUPAC Name3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid
SMILESCc1cc(S(=O)(=O)NCCC(=O)O)sc1Cl
InChIInChI=1S/C8H10ClNO4S2/c1-5-4-7(15-8(5)9)16(13,14)10-3-2-6(11)12/h4,10H,2-3H2,1H3,(H,11,12)
InChIKeySXUMTBGTSRKOLY-UHFFFAOYSA-N
XLogP1.46
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 103099828
(2S)-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 103215118
5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide
CID 103100218
2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pentanedioic acid
CID 103099643
N-(4-bromobutyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 106846774
5-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylthiophene-2-sulfonamide
CID 103100201
(2R)-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]hexanedioic acid
CID 107266601
5-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylthiophene-2-sulfonamide
CID 103100525
6-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-4,4-dimethylhexanoic acid
CID 79997899
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
CID 103862594
3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43245307
2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxyethanimidamide
CID 103100630

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid (CID 103099583) is 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid is Cc1cc(S(=O)(=O)NCCC(=O)O)sc1Cl.
What is the InChIKey of 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid?
The InChIKey is SXUMTBGTSRKOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO4S2/c1-5-4-7(15-8(5)9)16(13,14)10-3-2-6(11)12/h4,10H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid?
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid has a molecular weight of 283.76 g/mol, XLogP of 1.46, 5 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]propanoic acid is sourced from PubChem (CID 103099583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).