(2S)-4-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid

C8H9BrClNO5S2 — CID 104934085

IUPAC(2S)-4-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
SMILESO=C(O)[C@@H](O)CCNS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C8H9BrClNO5S2/c9-7-4(10)3-6(17-7)18(15,16)11-2-1-5(12)8(13)14/h3,5,11-12H,1-2H2,(H,13,14)/t5-/m0/s1
InChIKeySEGGOJROVCKZJX-YFKPBYRVSA-N
MW378.65 g/mol
LogP1.28
Rot. Bonds6

About (2S)-4-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid

(2S)-4-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid (PubChem CID 104934085) has the molecular formula C8H9BrClNO5S2 and a molecular weight of 378.65 g/mol. Its IUPAC name is (2S)-4-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
PubChem CID104934085
Molecular FormulaC8H9BrClNO5S2
Molecular Weight378.65 g/mol
Exact Mass376.88
IUPAC Name(2S)-4-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
SMILESO=C(O)[C@@H](O)CCNS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C8H9BrClNO5S2/c9-7-4(10)3-6(17-7)18(15,16)11-2-1-5(12)8(13)14/h3,5,11-12H,1-2H2,(H,13,14)/t5-/m0/s1
InChIKeySEGGOJROVCKZJX-YFKPBYRVSA-N
XLogP1.28
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.65
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 104936210
(2S)-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 103215118
2-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 80577423
5-bromo-4-chloro-N-[(2R)-2-hydroxypropyl]thiophene-2-sulfonamide
CID 83030123
4-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 107835282
(2S)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid
CID 80577574
5-bromo-N-(4-bromobutyl)-4-chlorothiophene-2-sulfonamide
CID 106846697
(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid
CID 80577604
N-[2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 115685407
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 79987643
5-bromo-4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-sulfonamide
CID 80577895
(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoic acid
CID 80577603

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid (CID 104934085) is (2S)-4-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid is O=C(O)[C@@H](O)CCNS(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of (2S)-4-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid?
The InChIKey is SEGGOJROVCKZJX-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H9BrClNO5S2/c9-7-4(10)3-6(17-7)18(15,16)11-2-1-5(12)8(13)14/h3,5,11-12H,1-2H2,(H,13,14)/t5-/m0/s1.
What are the key properties of (2S)-4-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid?
(2S)-4-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid has a molecular weight of 378.65 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 104934085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).