(2S)-2-(3-chlorophenyl)-2-thiophen-2-ylsulfonylethanamine

C12H12ClNO2S2 — CID 9162051

IUPAC(2S)-2-(3-chlorophenyl)-2-thiophen-2-ylsulfonylethanamine
SMILESNC[C@H](c1cccc(Cl)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H12ClNO2S2/c13-10-4-1-3-9(7-10)11(8-14)18(15,16)12-5-2-6-17-12/h1-7,11H,8,14H2/t11-/m1/s1
InChIKeyXITOISFPSFMNPB-LLVKDONJSA-N
MW301.82 g/mol
LogP2.88
Rot. Bonds4

About (2S)-2-(3-chlorophenyl)-2-thiophen-2-ylsulfonylethanamine

(2S)-2-(3-chlorophenyl)-2-thiophen-2-ylsulfonylethanamine (PubChem CID 9162051) has the molecular formula C12H12ClNO2S2 and a molecular weight of 301.82 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenyl)-2-thiophen-2-ylsulfonylethanamine.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenyl)-2-thiophen-2-ylsulfonylethanamine
PubChem CID9162051
Molecular FormulaC12H12ClNO2S2
Molecular Weight301.82 g/mol
Exact Mass301.00
IUPAC Name(2S)-2-(3-chlorophenyl)-2-thiophen-2-ylsulfonylethanamine
SMILESNC[C@H](c1cccc(Cl)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H12ClNO2S2/c13-10-4-1-3-9(7-10)11(8-14)18(15,16)12-5-2-6-17-12/h1-7,11H,8,14H2/t11-/m1/s1
InChIKeyXITOISFPSFMNPB-LLVKDONJSA-N
XLogP2.88
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-thiophen-2-yl-2-thiophen-2-ylsulfonylethanamine;hydrochloride
CID 20982714
N-[1-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 51169508
3-chloro-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51449272
3-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9152253
(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
CID 9167401
3-amino-2-thiophen-2-ylsulfonylpropanoic acid
CID 64694450
2-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51662811
(2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine
CID 9161767
N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide
CID 46587498
N-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 9301774
2-(difluoromethylsulfonyl)thiophene
CID 82076235
N-[1-(3-chlorophenyl)ethyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 42913648

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenyl)-2-thiophen-2-ylsulfonylethanamine?
The IUPAC name of (2S)-2-(3-chlorophenyl)-2-thiophen-2-ylsulfonylethanamine (CID 9162051) is (2S)-2-(3-chlorophenyl)-2-thiophen-2-ylsulfonylethanamine.
What is the SMILES notation for (2S)-2-(3-chlorophenyl)-2-thiophen-2-ylsulfonylethanamine?
The canonical SMILES for (2S)-2-(3-chlorophenyl)-2-thiophen-2-ylsulfonylethanamine is NC[C@H](c1cccc(Cl)c1)S(=O)(=O)c1cccs1.
What is the InChIKey of (2S)-2-(3-chlorophenyl)-2-thiophen-2-ylsulfonylethanamine?
The InChIKey is XITOISFPSFMNPB-LLVKDONJSA-N. The full InChI is InChI=1S/C12H12ClNO2S2/c13-10-4-1-3-9(7-10)11(8-14)18(15,16)12-5-2-6-17-12/h1-7,11H,8,14H2/t11-/m1/s1.
What are the key properties of (2S)-2-(3-chlorophenyl)-2-thiophen-2-ylsulfonylethanamine?
(2S)-2-(3-chlorophenyl)-2-thiophen-2-ylsulfonylethanamine has a molecular weight of 301.82 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenyl)-2-thiophen-2-ylsulfonylethanamine is sourced from PubChem (CID 9162051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).