(2R)-2-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylamino)acetic acid

C12H10ClNO4S2 — CID 107314977

IUPAC(2R)-2-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylamino)acetic acid
SMILESO=C(O)[C@H](NS(=O)(=O)c1cccs1)c1ccccc1Cl
InChIInChI=1S/C12H10ClNO4S2/c13-9-5-2-1-4-8(9)11(12(15)16)14-20(17,18)10-6-3-7-19-10/h1-7,11,14H,(H,15,16)/t11-/m1/s1
InChIKeyUTMKONRQZSXPCU-LLVKDONJSA-N
MW331.80 g/mol
LogP2.51
Rot. Bonds5

About (2R)-2-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylamino)acetic acid

(2R)-2-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylamino)acetic acid (PubChem CID 107314977) has the molecular formula C12H10ClNO4S2 and a molecular weight of 331.80 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylamino)acetic acid
PubChem CID107314977
Molecular FormulaC12H10ClNO4S2
Molecular Weight331.80 g/mol
Exact Mass330.97
IUPAC Name(2R)-2-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylamino)acetic acid
SMILESO=C(O)[C@H](NS(=O)(=O)c1cccs1)c1ccccc1Cl
InChIInChI=1S/C12H10ClNO4S2/c13-9-5-2-1-4-8(9)11(12(15)16)14-20(17,18)10-6-3-7-19-10/h1-7,11,14H,(H,15,16)/t11-/m1/s1
InChIKeyUTMKONRQZSXPCU-LLVKDONJSA-N
XLogP2.51
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-(2-chlorophenyl)acetic acid
CID 107314957
(2R)-2-(2-chlorophenyl)-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid
CID 107314959
N-(3-chloro-2-methylphenyl)-2-phenyl-2-(thiophen-2-ylsulfonylamino)acetamide
CID 22427317
2-chloro-N-thiophen-2-ylsulfonylbenzamide
CID 975839
(2R)-2-(2-chlorophenyl)-2-(cyclopropylsulfamoylamino)acetic acid
CID 107314914
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide
CID 99698254
N-[(S)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 8815899
N-[(R)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 8815903
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]thiophene-2-sulfonamide
CID 26192906
(2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanoic acid
CID 61173993
(2R)-N-[(4-chlorophenyl)methyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 92714827

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylamino)acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylamino)acetic acid (CID 107314977) is (2R)-2-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylamino)acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylamino)acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylamino)acetic acid is O=C(O)[C@H](NS(=O)(=O)c1cccs1)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylamino)acetic acid?
The InChIKey is UTMKONRQZSXPCU-LLVKDONJSA-N. The full InChI is InChI=1S/C12H10ClNO4S2/c13-9-5-2-1-4-8(9)11(12(15)16)14-20(17,18)10-6-3-7-19-10/h1-7,11,14H,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylamino)acetic acid?
(2R)-2-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylamino)acetic acid has a molecular weight of 331.80 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylamino)acetic acid is sourced from PubChem (CID 107314977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).