(2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid

C7H8ClNO5S2 — CID 80751001

IUPAC(2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
SMILESO=C(O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C7H8ClNO5S2/c8-5-1-2-6(15-5)16(13,14)9-4(3-10)7(11)12/h1-2,4,9-10H,3H2,(H,11,12)/t4-/m1/s1
InChIKeyCSCMXQDXVFIWOB-SCSAIBSYSA-N
MW285.73 g/mol
LogP0.13
Rot. Bonds5

About (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid

(2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid (PubChem CID 80751001) has the molecular formula C7H8ClNO5S2 and a molecular weight of 285.73 g/mol. Its IUPAC name is (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
PubChem CID80751001
Molecular FormulaC7H8ClNO5S2
Molecular Weight285.73 g/mol
Exact Mass284.95
IUPAC Name(2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
SMILESO=C(O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C7H8ClNO5S2/c8-5-1-2-6(15-5)16(13,14)9-4(3-10)7(11)12/h1-2,4,9-10H,3H2,(H,11,12)/t4-/m1/s1
InChIKeyCSCMXQDXVFIWOB-SCSAIBSYSA-N
XLogP0.13
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid
CID 60640830
methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate
CID 43405378
(2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 61144815
(2R)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751470
5-chloro-N-[(2S,3R)-1-hydroxy-3-(4-phenylphenyl)butan-2-yl]thiophene-2-sulfonamide
CID 66929809
5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide
CID 72786260
2-[(5-bromothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244964
5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylhexan-2-yl]thiophene-2-sulfonamide
CID 66930190
2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide
CID 78786909
(2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 28831674
5-chloro-N-(1-hydroxy-3-phenylmethoxybutan-2-yl)thiophene-2-sulfonamide
CID 22500794
(2S)-2-[(5-methylthiophen-2-yl)sulfonylamino]pentanedioic acid
CID 61145094

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid (CID 80751001) is (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid is O=C(O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid?
The InChIKey is CSCMXQDXVFIWOB-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H8ClNO5S2/c8-5-1-2-6(15-5)16(13,14)9-4(3-10)7(11)12/h1-2,4,9-10H,3H2,(H,11,12)/t4-/m1/s1.
What are the key properties of (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid?
(2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid has a molecular weight of 285.73 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80751001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).