[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium

C12H13ClNO2S2+ — CID 9079056

IUPAC[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium
SMILES[NH3+]C[C@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClNO2S2/c13-9-3-5-10(6-4-9)18(15,16)12(8-14)11-2-1-7-17-11/h1-7,12H,8,14H2/p+1/t12-/m1/s1
InChIKeyYPZDDWHUYSEXHQ-GFCCVEGCSA-O
MW302.83 g/mol
LogP2.16
Rot. Bonds4

About [(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium

[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium (PubChem CID 9079056) has the molecular formula C12H13ClNO2S2+ and a molecular weight of 302.83 g/mol. Its IUPAC name is [(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium.

Molecular Properties

Compound Name[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium
PubChem CID9079056
Molecular FormulaC12H13ClNO2S2+
Molecular Weight302.83 g/mol
Exact Mass302.01
IUPAC Name[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium
SMILES[NH3+]C[C@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClNO2S2/c13-9-3-5-10(6-4-9)18(15,16)12(8-14)11-2-1-7-17-11/h1-7,12H,8,14H2/p+1/t12-/m1/s1
InChIKeyYPZDDWHUYSEXHQ-GFCCVEGCSA-O
XLogP2.16
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium
CID 9079080
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide
CID 16829653
4-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193498
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 7268580
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 40774967
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide
CID 22584057
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]furan-2-carboxamide
CID 7268597
2-(4-chlorophenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
CID 40774735
N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(3-methylbutyl)oxamide
CID 27532307
[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]azanium
CID 9161700
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide
CID 27546075
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide
CID 22581594

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium?
The IUPAC name of [(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium (CID 9079056) is [(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium.
What is the SMILES notation for [(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium?
The canonical SMILES for [(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium is [NH3+]C[C@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium?
The InChIKey is YPZDDWHUYSEXHQ-GFCCVEGCSA-O. The full InChI is InChI=1S/C12H12ClNO2S2/c13-9-3-5-10(6-4-9)18(15,16)12(8-14)11-2-1-7-17-11/h1-7,12H,8,14H2/p+1/t12-/m1/s1.
What are the key properties of [(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium?
[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium has a molecular weight of 302.83 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium is sourced from PubChem (CID 9079056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).