(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-(2-chlorophenyl)acetic acid

C12H9BrClNO4S2 — CID 107314957

IUPAC(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-(2-chlorophenyl)acetic acid
SMILESO=C(O)[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1Cl
InChIInChI=1S/C12H9BrClNO4S2/c13-9-5-6-10(20-9)21(18,19)15-11(12(16)17)7-3-1-2-4-8(7)14/h1-6,11,15H,(H,16,17)/t11-/m1/s1
InChIKeyUIVMHZVCKZJVDE-LLVKDONJSA-N
MW410.70 g/mol
LogP3.27
Rot. Bonds5

About (2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-(2-chlorophenyl)acetic acid

(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-(2-chlorophenyl)acetic acid (PubChem CID 107314957) has the molecular formula C12H9BrClNO4S2 and a molecular weight of 410.70 g/mol. Its IUPAC name is (2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-(2-chlorophenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-(2-chlorophenyl)acetic acid
PubChem CID107314957
Molecular FormulaC12H9BrClNO4S2
Molecular Weight410.70 g/mol
Exact Mass408.88
IUPAC Name(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-(2-chlorophenyl)acetic acid
SMILESO=C(O)[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1Cl
InChIInChI=1S/C12H9BrClNO4S2/c13-9-5-6-10(20-9)21(18,19)15-11(12(16)17)7-3-1-2-4-8(7)14/h1-6,11,15H,(H,16,17)/t11-/m1/s1
InChIKeyUIVMHZVCKZJVDE-LLVKDONJSA-N
XLogP3.27
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.70
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylamino)acetic acid
CID 107314977
methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenylacetate
CID 3675533
(2R)-2-[(5-bromothiophene-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107314545
(2R)-2-(2-chlorophenyl)-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid
CID 107314959
5-bromo-N-[(R)-(2-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide
CID 93486397
(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 113353088
2-[(5-bromothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244964
5-bromo-N-[(R)-(4-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide
CID 38005000
(2R)-2-(2-chlorophenyl)-2-(cyclopropylsulfamoylamino)acetic acid
CID 107314914
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide
CID 65314645
2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-(1,5-dimethylpyrazol-4-yl)acetic acid
CID 154741095

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-(2-chlorophenyl)acetic acid?
The IUPAC name of (2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-(2-chlorophenyl)acetic acid (CID 107314957) is (2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-(2-chlorophenyl)acetic acid.
What is the SMILES notation for (2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-(2-chlorophenyl)acetic acid?
The canonical SMILES for (2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-(2-chlorophenyl)acetic acid is O=C(O)[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1Cl.
What is the InChIKey of (2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-(2-chlorophenyl)acetic acid?
The InChIKey is UIVMHZVCKZJVDE-LLVKDONJSA-N. The full InChI is InChI=1S/C12H9BrClNO4S2/c13-9-5-6-10(20-9)21(18,19)15-11(12(16)17)7-3-1-2-4-8(7)14/h1-6,11,15H,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-(2-chlorophenyl)acetic acid?
(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-(2-chlorophenyl)acetic acid has a molecular weight of 410.70 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-(2-chlorophenyl)acetic acid is sourced from PubChem (CID 107314957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).